Structures with Z' > 4
The table below contains details of all the structures with Z' > 4 in the Cambridge Structural Database. As well as the name, journal reference and CSD Refcode there is a "Notes" section for each structure noting anything of interest about the packing or composition of the asymmetric unit, as well as links to polymorphs, redeterminations or similar structures. If you have anything to add or spot any errors then please let us know. The table also can be sorted by year, just click on the column header.
If you are just interested in structures with Z'>=12 then you can view these in our High Z' Database.
| Z' | Compound name |
Notes |
Reference |
Refcode |
Year |
|---|---|---|---|---|---|
| 4.5 |
2,4,5-triiodo-1H-imidazole |
Gamma polymorph (of three). The polymorphism involves interplay of NH···N hydrogen bonds and I···I halogen interactions. The gamma form is dominated by the iodo interactions. |
K.W.Rajewski, M.Andrzejewski, A.Katrusiak, Cryst.Growth Des., 2016, 16, 3869 | BOWRUC08 | 2016 |
| 4.5 |
(mu-iodine)-tetrakis(mu-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olato)-tetra(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olato)-di-silver-di-aluminium |
To add a comment on this structure please contact us |
P.J.Malinowski, D.Himmel, Ingo Krossing, Angew.Chem.,Int.Ed., 2016, 55, 9262 | OQUZUX | 2016 |
| 4.5 |
bis(Triethylphosphine)-bis((4-(trifluoromethyl)phenyl)ethynyl)-platinum |
To add a comment on this structure please contact us |
H.Braunschweig, A.Damme, R.D.Dewhurst, H.Kelch, B.B.Macha, K.Radacki, A.Vargas, Qing Ye, Chem.-Eur.J., 2015, 21, 2377 | PUCKIJ | 2015 |
| 4.5 |
bis(mu-isopropanolato)-bis(bis(trimethylsilyl)amido)-di-tin(ii) |
Lingfang Wang, V.Poirier, F.Ghiotto, M.Bochmann, R.D.Cannon, J.-F.Carpentier, Y.Sarazin, Macromolecules, 2014, 47, 2574 | PETMOT | 2014 | |
| 4.5 |
bis(μ2-bromo)-bis(2-(diphenylphosphino)-3,4,5,6-tetrafluorophenyl)-di-palladium dichloromethane solvate |
There are five unique dinuclear complexes, one situated on a crystallographic inversion centre. The molecule has an awkward shape and fluoroaryl and aryl regions. The 9-fold superstructure that can be regarded as a commensurate modulation of a Z = 1 parent structure with unit cell axes a = 1/9(2a-3b+c), b = 1/9(4a+3b+2c), c = 1/3(-a+c) and one-ninth the cell volume. |
M. A. Bennett, G. Kar, N. Mirzadeh, S. H. Priver, A. D. Rae, J. Wagler, A. C. Willis, S. K. Bhargava, Organometallics, 2011, 30, 3749 | BAHZUH | 2011 |
| 4.5 |
bis(μ2-3-Methylbutane(dithioato)-S,S')-di-gold(i) |
To add a comment on this structure please contact us |
M. L. Gallego, A. Guijarro, O. Castillo, T. Parella, R. Mas-Balleste, F. Zamora, CrystEngComm, 2010, 12, 2332 | YUZSES | 2010 |
| 4.5 |
Benzidine |
Z' = 1.5 (BENZIE02), Z' = 3 (BENZIE01) and another Z' = 4.5 (BENZIE04) polymorphs also known |
M. Rafilovich, J. Bernstein, J. Am. Chem. Soc., 2006, 128, 12185 | BENZIE03 | 2006 |
| 4.5 |
Benzidine |
Z' = 1.5 (BENZIE02), Z' = 3 (BENZIE01) and another Z' = 4.5 (BENZIE03) polymorphs also known |
M. Rafilovich, J. Bernstein, J. Am. Chem. Soc., 2006, 128, 12185 | BENZIE04 | 2006 |
| 4.5 |
tris(μ2-(Methylimino)(methoxy)methyl-C,N)-tri-gold(i) |
To add a comment on this structure please contact us |
R. L. White-Morris, M. M. Olmstead, S. Attar, A. L. Balch, Inorg. Chem., 2005, 44, 5021 | RETDAV03 | 2005 |
| 4.5 |
Lithium t-butanolate |
To add a comment on this structure please contact us |
K. M. Fromm, Private Communication, 2004 | ZZZJZU02 | 2004 |
| 4.5 |
(η8-1-Methylboratacyclo-octatetraene)-(η6-1-methylboratabenzene)-titanium(ii) |
One independent molecule very disordered |
Xiangdong Fang, D. Woodmansee, Xianhui Bu, G. C. Bazan, Angew. Chem., Int. Ed., 2003, 42, 4510 | ILUGAX | 2003 |
| 4.5 |
N-Methyl-N-propylpyrrollidinium hexafluorophosphate |
One cation is modelled as disordered across a two-fold axis |
J. Golding, N. Hamid, D. R. MacFarlane, M. Forsyth, C. Forsyth, C. Collins, J. Huang, Chem. Mater., 2001, 13, 558 | QOPZUQ | 2001 |
| 4.5 |
bis(μ2-Carbonyl)-decacarbonyl-tri-iron |
Z' = 0.5 polymorph also known (see GAFMEF, GAFMEF01-05 and GAFMEF12-13). Four of the independent molecules are disordered. |
L. J. Farrugia, A. L. Gillon, D. Braga, F. Grepioni, Organometallics, 1999, 18, 5022 | GAFMEF06 | 1999 |
| 4.5 |
tetrakis((μ3-t-Butylidyne)-lithium) |
To add a comment on this structure please contact us |
T. Kottke, D. Stalke, Angew. Chem., Int. Ed., 1993, 32, 580 | SUHBIG | 1993 |
| 4.5 |
Tetramethyl-tetraselenafulvalene bis(isotrithionedithiolato-S,S')-nickel |
No 3D coordinates |
H. Kobayashi, R. Kato, A. Kobayashi, Y. Sasaki, Chem. Lett., 1985, 535 | DALPUB | 1985 |
| 4.5 |
Sodium trimethylsiloxide |
No 3D coordinates |
T. Greiser, E. Weiss, Chem. Ber., 1977, 110, 3388 | ZZZBJM | 1977 |
| 5 |
potassium trifluoro(3,3,3-trifluoropropen-2-yl)borate |
J.P.Phelan, R.J.Wiles, S.B.Lang, C.B.Kelly, G.A.Molander, Chemical Science, 2018, 9, 3215 | BEYDUH | 2018 | |
| 5 |
1-[4-(tetradecyloxy)phenyl]pyridin-1-ium bis[(trifluoromethyl)sulfonyl]imide |
Ren-Tzong Wang, Gene-Hsiang Lee, C.K.Lai, CrystEngComm, 2018, 20, 2593 | GEWMED | 2018 | |
| 5 |
bis(cobaltocenium) tetrachloro-cobalt(ii) dichloromethane solvate |
M.J.Shaw, N.Xu, I.E.Caveny, E.G.Abucayon, A.R.Ramuglia, G.B.Richter-Addo, IUCrData, 2018, 3, x180552 | KIDLER | 2018 | |
| 5 |
2,11-dimethoxy-3,10-dimethyl-6,7-dihydrodibenzo[e,g][1,4]dioxocine |
L.V.Ivanova, T.S.Navale, Denan Wang, S.Lindeman, M.V.Ivanov, R.Rathore, Chem.Commun., 2018, 54, 5851 | LIGSEC | 2018 | |
| 5 |
sodium tris(2-methylpropanoato)-dioxo-uranium(vi) hydrate |
Trigonal uranyl species with bulky carboxylate substituents |
A.V.Savchenkov, A.V.Vologzhanina, A.O.Dmitrienko, Y.V.Zubavichus, D.V.Pushkin, L.B.Serezhkina, V.N.Serezhkin, Dalton Trans., 2018 | QEPYOC | 2018 |
| 5 |
4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one hydrate |
J.de C.Fonseca, J.C.T.Clavijo, N.Alvarez, J.Ellena, A.P.Ayala, Cryst.Growth Des., 2018, 18, 3441 | TEVYIF | 2018 | |
| 5 |
4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one hydrate |
J.de C.Fonseca, J.C.T.Clavijo, N.Alvarez, J.Ellena, A.P.Ayala, Cryst.Growth Des., 2018, 18, 3441 | TEVYOL | 2018 | |
| 5 |
1-(3-amino-4-nitrophenyl)piperidin-4-ol hydrate |
J.M.White, C.E.Skene, CSD Communication(Private Communication), 2018 | WETQEU | 2018 | |
| 5 |
4-methyl[1,1'-biphenyl]-2,3-diol |
S.Nerdinger, E.Kuatsjah, T.E.Hurst, Inge Schlapp-Hackl, V.Kahlenberg, L.D.Eltis, V.Snieckus, ChemBioChem, 2018, 19 | WIDDEV | 2018 | |
| 5 |
4-methyl[1,1'-biphenyl]-2,3-diol |
S.Nerdinger, E.Kuatsjah, T.E.Hurst, Inge Schlapp-Hackl, V.Kahlenberg, K.Wurst, L.D.Eltis, V.Snieckus, ChemBioChem, 2018 | WIDDEV01 | 2018 | |
| 5 |
ethyl (2-amino-4-{[(4-fluorophenyl)methyl]amino}phenyl)carbamate |
R.Gautam, R.Kaur, S.Cherukuvada, D.Swain, T.N.G.Row, Cryst.Growth Des., 2018, 18, 1501 | YETJUF | 2018 | |
| 5 |
8,9-dimethoxyimidazo[2,1-a]isoquinoline hexane solvate hydrate |
Pairwise aromatic face-to-face stacking with hexane and water filled channels |
K.Takagi, K.Ito, Y.Yamada, T.Nakashima, R.Fukuda, M.Ehara, D.Takeuchi, Chem.Lett., 2017, 46, 1372 | DEFKEH | 2017 |
| 5 |
dimethyl 1-((2-methoxybenzylidene)amino)-4-(2-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
Awkward shape |
M.Kallitsakis, E.Loukopoulos, A.Abdul-Sada, G.J.Tizzard, S.J.Coles, G.E.Kostakis, I.N.Lykakis, Adv.Synth.Catal., 2017, 359, 138 | NAVQOT | 2017 |
| 5 |
8,21,34-triazadecacyclo[33.4.0.0$2,7!.0$6,10!.0$9,14!.0$15,20!.0$19,23!.0$22,27!.0$28,33!.0$32,36!]nonatriaconta-1(39),2,4,6,9,11,13,15,17,19,22,24,26,28,30,32,35,37-octadecaene unknown solvate |
non-planar macrocycle |
K.Yamamoto, P.Pandit, Shuhei Higashibayashi, Chem.-Eur.J., 2017, 23, 14011 | NENCOB | 2017 |
| 5 |
1,1-dicyclohexyl-N-phenylphosphinecarboxamide |
To add a comment on this structure please contact us |
R.J.Schwamm, J.R.Fulton, M.P.Coles, C.M.Fitchett, Dalton Trans., 2017, 2068 | PAMTEF | 2017 |
| 5 |
(((2,6-dimethylphenyl)amino)(2-(4-methylbenzoyl)hydrazino)methylidene)-(N-(2,6-dimethylphenyl)cyano)-di-iodo-palladium acetone solvate |
Awkward shape and amide type hydrogen bonding |
D.V.Boyarskaya, M.A.Kinzhalov, V.V.Suslonov, V.P.Boyarskiy, Inorg.Chim.Acta, 2017, 458, 190 | PAQYIS | 2017 |
| 5 |
9-[3-([2,3'-bipyridin]-5-yl)phenyl]-9H-carbazole |
Awkward shape with two planar regions |
Zhao Liang, CSD Communication(Private Communication), 2017 | PEJYEL | 2017 |
| 5 |
bis(trans-4-butylcyclohexyl)methanol |
Bulky monoalcohol |
K.Saito, T.Ikeda, Y.Yamamura, H.Saitoh, M.Hishida, Y.Kobayashi, T.Fujita, Junji Ichikawa, J.Chem.Phys., 2017, 146, 74503 | TAPLII01 | 2017 |
| 5 |
1,10,13,18-tetramethoxyhexacyclo[16.2.2.2$2,5!.2$6,9!.2$10,13!.2$14,17!]triaconta-2,4,6,8,11,14,16,19,21,23,25,27,29-tridecaene |
Awkwardly shaped macrocycle |
E.R.Darzi, B.M.White, L.K.Loventhal, L.N.Zakharov, R.Jasti, J.Am.Chem.Soc., 2017, 139, 3106 | TASWES | 2017 |
| 5 |
7'-methyl-4'-(prop-1-en-2-yl)-3'-[(trimethylsilyl)oxy]-3',3a',4',5'-tetrahydrospiro[1,3-dithiane-2,1'-inden]-7a'(2'H)-ol |
Awkwardly shaped monoalcohol but the only hydrogen bonding is intramolecular |
Heeoon Han, A.B.Smith III, Angew.Chem.,Int.Ed., 2017, 56, 14102 | TELCIZ | 2017 |
| 5 |
((dimethylamino)methylidene)oxidanium tris(3,4,5,6-tetrachlorobenzene-1,2-diolato)phosphate N,N-dimethylformamide dichloromethane solvate |
Ridig 3D aromatic shape |
K.Hazin, S.C.Serin, B.O.Patrick, M.B.Ezhova, D.P.Gates, Dalton Trans., 2017, 46, 5901 | WAPSOY | 2017 |
| 5 |
t-butyl N-(4-((1-methoxy-2-methyl-1-oxopropan-2-yl)amino)-4-oxobut-2-enoyl)-3-methylisovalinate |
To add a comment on this structure please contact us |
D.Mazzier, M.Crisma, M.De Poli, G.Marafon, C.Peggion, J.Clayden, A.Moretto, J.Am.Chem.Soc., 2016, 138, 8007 | AREMOB | 2016 |
| 5 |
dicarbonyl-(1,1'-(pyridine-2,6-diyl)bis(N-phenylethanimine))-iron |
To add a comment on this structure please contact us |
J.Jezierska, H.W.Schmalle, H.Berke, CSD Communication(Private Communication), 2016 | AYECEO | 2016 |
| 5 |
(E)-1-(2-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
To add a comment on this structure please contact us |
C.Sulpizio, A.Roller, G.Giester, A.Rompel, Monatsh.Chem., 2016, 147, 1747 | CAGZUI | 2016 |
| 5 |
12d-methyl-2,6,10-trinitro-4b,8b,12b-tripropyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene |
To add a comment on this structure please contact us |
D.Beaudoin, F.Rominger, M.Mastalerz, Eur.J.Org.Chem., 2016, 4470 | EWIMUU | 2016 |
| 5 |
4-methyl-1-(2-(4-(trifluoromethyl)phenyl)-1,3,2-benzodioxaborol-2-yl)-1-pyridine 4-methylpyridine |
To add a comment on this structure please contact us |
N.J.Wilcox, W.R.Kwochka, R.D.Pike, J.Chem.Cryst., 2016, 46, 28 | GAGCAV | 2016 |
| 5 |
6-Benzyl-N,N-diethyl-7-(2-thienyl)-4,6-dihydropyrazolo[3,4-e][1,2,4]thiadiazin-3-amine 1,1-dioxide |
To add a comment on this structure please contact us |
R.E.Norman, M.V.Perkins, A.J.Liepa, C.L.Francis, Aust.J.Chem., 2016, 69, 61 | IJIMIZ | 2016 |
| 5 |
1-(5-ethoxy-2-(4-nitrophenyl)-1,3-oxazol-4-yl)-N-methoxyethanimine |
To add a comment on this structure please contact us |
N.S.Y.Loy, Subin Choi, Sunggak Kim, C.-M.Park, Chem.Commun., 2016, 52, 7336 | ILISIH | 2016 |
| 5 |
2-fluorophenylpiperazindiium pentachloroantimonate hydrate |
To add a comment on this structure please contact us |
I.Lahbib, M.Rzaigui, W.Smirani, J.Mol.Struct., 2016, 1120, 250 | IMELIX | 2016 |
| 5 |
(R)-3-chloro-2-(prop-2-yn-1-yloxy)propyl 4-nitrobenzoate |
To add a comment on this structure please contact us |
Wen Yang, Zhaobin Wang, Jianwei Sun, Angew.Chem.,Int.Ed., 2016, 55, 6954 | ISOFUT | 2016 |
| 5 |
(6E,9Z)-8-Phenyl-7-(trimethylsilyl)benzo[8]annulen-5(8H)-one |
To add a comment on this structure please contact us |
L.Eccleshare, L.Lozada-Rodriguez, P.Cooper, L.Burroughs, J.Ritchie, W.Lewis, S.Woodward, Chem.-Eur.J., 2016, 22, 12542 | LUVYUY01 | 2016 |
| 5 |
bis(5-amino-4H-1,2,4-triazol-1-ium) 1H,1'H-5,5'-bitetrazole-1,1'-diolate hydrate |
To add a comment on this structure please contact us |
Yu Shang, Bo Jin, Rufang Peng, Zhicheng Guo, Qiangqiang Liu, Jun Zhao, Qingchun Zhang, RSC Advances, 2016, 6, 48590 | OMOBUP | 2016 |
| 5 |
(SP)-bis(8-hydroxycyclopenta(a)indenyl)-iron dichloromethane solvate |
To add a comment on this structure please contact us |
Chris Nottingham, H.Muller-Bunz, P.J.Guiry, Angew.Chem.,Int.Ed., 2016, 55, 11115 | ORIMAF | 2016 |
| 5 |
(N''',N'''',N'''''-tris((1H-imidazol-4-yl)methylene)-N,N',N''-trimethylphosphorothioic trihydrazide)-iron bis(tetrafluoroborate) |
To add a comment on this structure please contact us |
P.Stock, Eva Deck, S.Hohnstein, J.Korzekwa, K.Meyer, F.W.Heinemann, F.Breher, G.Horner, Inorg.Chem., 2016, 55, 5254 | OTANOO | 2016 |
| 5 |
1-(2-azaniumylethyl)-3-methyl-1H-imidazol-3-ium hexachloro-platinum |
To add a comment on this structure please contact us |
E.Tamburri, M.C.Cassani, B.Ballarin, M.Tomellini, C.Femoni, A.Magnini, M.L.Terranova, S.Orlanducci, ChemSusChem, 2016, 9, 1153 | YAKXEQ | 2016 |
| 5 |
1,7-bis(4-methoxyphenyl)[1,2,3]triazolo[4,5-f]benzotriazole-4,8(1H,7H)-dione |
Very short triazole N to aromatic C contacts. Overall rigid, awkward shape. |
Ping-Fan Chen, Kung-Kai Kuo, J.K.Vandavasi, S.S.K.Boominathan, Chung-Yu Chen, Jeh-Jeng Wang, Org.Biomol.Chem., 2015, 13, 9261 | APIXAA | 2015 |
| 5 |
4-(1-naphthylamino)-1-naphthol |
To add a comment on this structure please contact us |
Linyi Bai, Qiang Gao, youyi xia, Chung Yen Ang, Purnandhu Bose, Si Yu Tan, Yanli Zhao, Nanoscale, 2015, 7, 14612 | BALJIK | 2015 |
| 5 |
(6-methyl-1-oxido-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)(phenyl)methanone |
To add a comment on this structure please contact us |
T.Yoneda, H.Tabata, T.Tasaka, T.Oshitari, H.Takahashi, H.Natsugari, J.Med.Chem., 2015, 58, 3268 | GUCCOY | 2015 |
| 5 |
N-propylpropan-1-aminium 2,4,6-trinitrophenolate |
To add a comment on this structure please contact us |
Yuelan Zhou, Tianliang Chen, Zhihua Sun, Shuquan Zhang, Chengmin Ji, Cheng Song, Junhua Luo, Chem.Asian J., 2015, 10, 247 | JOWGAF | 2015 |
| 5 |
bis(Acetylacetonato-O,O')-(1,3-diphenyl-1,3-propanedionato-O,O')-chromium(iii) |
To add a comment on this structure please contact us |
J.A.Suttil, J.F.Kucharyson, I.L.Escalante-Garcia, P.J.Cabrera, B.R.James, R.F.Savinell, M.S.Sanford, L.T.Thompson, J.Mater.Chem.A, 2015, 3, 7929 | JUCNIG | 2015 |
| 5 |
(6E,9Z)-8-Phenyl-7-(trimethylsilyl)benzo[8]annulen-5(8H)-one |
To add a comment on this structure please contact us |
L.Burroughs, L.Eccleshare, J.Ritchie, O.Kulkarni, B.Lygo, S.Woodward, W.Lewis, Angew.Chem.,Int.Ed., 2015, 54, 10648 | LUVYUY | 2015 |
| 5 |
(S!S$)-4-(t-Butylsulfinylamino)-2,3,4-trideoxy-2,2,3,3-tetrafluoro-D-erythro-hexopyranose |
To add a comment on this structure please contact us |
C.Q.Fontenelle, G.J.Tizzard, B.Linclau, J.Fluorine Chem., 2015, 174, 95 | OVISAP | 2015 |
| 5 |
9,19-Dihydroxy-6-(2-hydroxyethyl)-11,17-dimethyl-3,7,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.1$1,16!.1$4,8!.0$2,13!.0$12,26!.0$20,25!]hexacosa-2(13),4,8(26),9,11,16(25),17,19-octaen-24-yl acetate pyridine solvate |
To add a comment on this structure please contact us |
Pei Cao, Jing Yang, Cui-Ping Miao, Yijun Yan, Ya-Tuan Ma, Xiao-Nian Li, Li-Xing Zhao, Sheng-Xiong Huang, Org.Lett., 2015, 17, 1146 | RUCTUG | 2015 |
| 5 |
bis(mu!2$-eta$5!,eta$5!,eta$5!,eta$5!-1,4-bis(Tri-isopropylsilyl)pentalene)-(mu!2$-carbon disulfide)-di-titanium |
To add a comment on this structure please contact us |
A.F.R.Kilpatrick, J.C.Green, F.Geoffrey N.Cloke, Organometallics, 2015, 34, 4816 | VUTQUY | 2015 |
| 5 |
(pentamethylcyclopentadienyl)-(phenoxo)-iridium tetrafluoroborate acetonitrile solvate |
To add a comment on this structure please contact us |
E.M.D'Amato, C.N.Neumann, T.Ritter, Organometallics, 2015, 34, 4626 | WURHUO | 2015 |
| 5 |
1a-(4-chlorophenyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]isoquinolin-3-one |
To add a comment on this structure please contact us |
J.Pedroni, T.Saget, P.A.Donets, N.Cramer, Chemical Science, 2015, 6, 5164 | YUKLIB | 2015 |
| 5 |
3-(4-(2-(4-(Diethylamino)phenyl)vinyl)pyridinium-1-yl)propane-1-sulfonate hydrate |
To add a comment on this structure please contact us |
Dandan Li, Qiong Zhang, Xianshun Sun, Nanqi Shao, Rui Li, Shengli Li, Hongping Zhou, Jieying Wu, Yupeng Tian, Dyes Pigm., 2014, 102, 79 | CINHEO | 2014 |
| 5 |
4,8,12-tris(7H-dibenzo[c,g]fluoren-7-ylidene)-2,6,10-tris(pentafluorophenyl)-4H,8H,12H-benzo[1,9]quinolizino[3,4,5,6,7-defg]acridine chlorobenzene unknown solvate |
To add a comment on this structure please contact us |
Chih-Ming Chou, S.Saito, S.Yamaguchi, Org.Lett., 2014, 16, 2868 | EGOYAC | 2014 |
| 5 |
(-)-Di-sodium (R,R)-1,2-cyclohexanedisulfonate hydrate |
To add a comment on this structure please contact us |
F.Behler, C.Zitzer, M.S.Wickleder, J.Christoffers, Eur.J.Inorg.Chem., 2014, 6225 | KOTYAV | 2014 |
| 5 |
(S!C$,S!C$S!N$)-(2-(1-(dimethylamino)ethyl)-3,6-diisopropylphenyl)-(pyrrolidine-2-carboxylato)-palladium(ii) diethyl ether solvate |
To add a comment on this structure please contact us |
Jeanette See Leng Yap, Houguang Jeremy Chen, Yongxin Li, S.A.Pullarkat, Pak-Hing Leung, Organometallics, 2014, 33, 930 | MIVJAE | 2014 |
| 5 |
N-(4-hydroxy-3-methyl-4-phenylbut-1-en-1-yl)-2-methoxy-2-phenylacetamide |
To add a comment on this structure please contact us |
M.Yasuda, Y.Nagano, H.Yunoki, K.Tsuruwa, Akio Baba, Organometallics, 2014, 33, 3924 | MOQYOI | 2014 |
| 5 |
hexakis(t-butoxo)-hexa-sodium |
To add a comment on this structure please contact us |
E.streng, H.H.Snsteby, S.ien, O.Nilsen, H.Fjellvag, Dalton Trans., 2014, 43, 16666 | NABUOX12 | 2014 |
| 5 |
1-fluoro-3-iodobenzene |
To add a comment on this structure please contact us |
A.G.Dikundwar, R.Sathishkumar, T.N.G.Row, Z.Kristallogr., 2014, 229, 609 | NAFFIM | 2014 |
| 5 |
13-benzyl-3,6,8,10-tetramethyl-3,4,5,6,12,13,16,17,18,18a-decahydro-1H-pyrrolo[2,1-c][1,4,7]oxadiazacyclohexadecine-1,9,11,14(10H)-tetrone |
To add a comment on this structure please contact us |
Sayantan Das, R.K.Goswami, J.Org.Chem., 2014, 79, 9778 | RIMPAG01 | 2014 |
| 5 |
2,4,6-trifluoro-1,3,5-triazine |
To add a comment on this structure please contact us |
V.Vasylyeva, K.Merz, Z.Kristallogr., 2014, 229, 603 | TOYSOR | 2014 |
| 5 |
3,4-bis((2-(4-Hydroxyphenyl)ethyl)amino)cyclobut-3-ene-1,2-dione dimethylsulfoxide solvate hydrate |
To add a comment on this structure please contact us |
R.Prohens, M.Font-Bardia, A.Portell, CSD Communication(Private Communication), 2014 | WOPVOO | 2014 |
| 5 |
2-chloro-3,5,10,14,16-pentahydroxygrayanotoxan-6-yl acetate unknown solvate |
To add a comment on this structure please contact us |
Shuai-Zhen Zhou, Sheng Yao, Chunping Tang, Changqiang Ke, Lu Li, Ge Lin, Yang Ye, J.Nat.Prod., 2014, 77, 1185 | YOPNOI | 2014 |
| 5 |
2-(Pyridinium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethanide |
To add a comment on this structure please contact us |
H. Yanai, Y. Takahashi, H. Fukaya, Y. Dobashi, T. Matsumoto, Chem. Commun., 2013, 49, 10091 | AFOSAR | 2013 |
| 5 |
4'-(Biphenyl-4-yl)-4,2':6',4''-terpyridine |
To add a comment on this structure please contact us |
E. C. Constable, C. E. Housecroft, M. Neuburger, S. Vujovic, J. A. Zampese, Polyhedron, 2013, 60, 120 | RIJFOH | 2013 |
| 5 |
(η2-2-Azido-1,3-di-isopropylbenzene)-(1,1'-methylenebis(3-t-butyl-4,5-dimethyl-2,3-dihydro-1H-imidazol-2-ylidene))-nickel diethyl ether solvate |
To add a comment on this structure please contact us |
N. D. Harrold, G. L. Hillhouse, Chemical Science, 2013, 4, 4011 | UFIPUW | 2013 |
| 5 |
1,1',1''-(Chloromethanetriyl)tribenzene |
To add a comment on this structure please contact us |
R. Wang, T. Dols, C. Lehmann, U. Englert, Z. Anorg. Allg. Chem., 2013, 639, 1933 | ZZZVTY13 | 2013 |
| 5 |
catena-[(μ2-2-Aminoterephthalato)-(μ2-1,1'-biphenyl-4,4'-diylbis(1H-imidazole))-manganese(ii) hydrate] |
To add a comment on this structure please contact us |
Lili Wen, Li Zhou, Bingguang Zhang, Xianggao Meng, Hua Qu, Dongfeng Li, J. Mater. Chem., 2012, 22, 22603 | ACOLEL | 2012 |
| 5 |
1,4-Diazabicyclo[2.2.2]octane diiodo |
To add a comment on this structure please contact us |
A. Peuronen, A. Valkonen, M. Kortelainen, K. Rissanen, M. Lahtinen, Cryst. Growth Des., 2012, 12, 4157 | HEKZOO | 2012 |
| 5 |
1,4a,7-trimethyl-5,6,6a,9a-tetrahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-2,8(4aH,7H)-dione ethyl acetate solvate |
To add a comment on this structure please contact us |
F. A. Macias, A. Santana, A. Yamahata, R. M. Varela, F. R. Fronczek, J. M. G. Molinillo, J. Nat. Prod., 2012, 75, 1967 | KIFDUA | 2012 |
| 5 |
Acetonitrile-diaqua-(nitrato-O,O')-(nitrato-O)-nickel(ii) (15-crown-5) acetonitrile solvate |
To add a comment on this structure please contact us |
M. A. Siegler, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2012, 68, 389 | ROLCEB01 | 2012 |
| 5 |
(η3-methylallyl)-dicarbonyl-(1,4,7-trithiacyclononane-S,S',S'')-molybdenum iodide dichloromethane solvate monohydrate |
To add a comment on this structure please contact us |
D. Morales, M. Puerto, I. del Rio, J. Perez, R. Lopez, Chem. -Eur. J., 2012, 18, 16186 | VETKIQ | 2012 |
| 5 |
(R,R)-5,6-Dichloro-3-(4-chlorophenyl)-3-((2-hydroxy-1-phenylethyl)amino)-1,3-dihydro-2H-indol-2-one |
To add a comment on this structure please contact us |
L. Puleo, P. Marini, R. Avallone, M. Zanchet, S. Bandiera, M. Baroni, T. Croci, Bioorg. Med. Chem., 2012, 20, 5623 | XIJBAV | 2012 |
| 5 |
1-(9H-Fluoren-9-ylidene)-N,N-dimethylmethanediamine |
To add a comment on this structure please contact us |
Xia Chen, Xiaoyan Xue, Liping Zhang, Wen-Hua Sun, Inorg. Chem. Commun., 2011, 14, 235 | ARIRAV | 2011 |
| 5 |
(+)-Ethyl 3,4-dimethyl-6-((2-oxo-1,3-oxazolidin-3-yl)carbonyl)-5-((triisopropylsilyl)oxy)cyclohex-3-ene-1-carboxylate |
To add a comment on this structure please contact us |
I. B. Seiple, Shun Su, I. S. Young, A. Nakamura, J. Yamaguchi, L. Jorgensen, R. A. Rodriguez, D. P. O'Malley, T. Gaich, M. Kock, P. S. Baran, J. Am. Chem. Soc., 2011, 133, 14710 | CANQEP | 2011 |
| 5 |
5,5-Difluoro-1,3,7,9-tetramethyl-10-(4-methylphenyl)-5H-6λ5,5λ5-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine |
To add a comment on this structure please contact us |
Yuting Chen, Liang Wan, Daopeng Zhang, Yongzhong Bian, Jianzhuang Jiang, Photochem. Photobiol. Sci., 2011, 10, 1030 | EQORUY | 2011 |
| 5 |
1-Aza-4-azoniabicyclo[2.2.2]octane iodide monohydrate |
To add a comment on this structure please contact us |
A. Olejniczak, A. Katrusiak, Cryst. Growth Des., 2011, 11, 2250 | EVUQAO | 2011 |
| 5 |
(η2,η2-cycloocta-1,5-diene)-bis(acetonitrile)-rhodium tetrafluoroborate |
To add a comment on this structure please contact us |
Sung Ok Kang, V. M. Lynch, V. W. Day, E. V. Anslyn, Organometallics, 2011, 30, 6233 | FAJHUV | 2011 |
| 5 |
Tetramethylammonium hydroxy-(N,N'-bis(1,1':3',1''-terphenyl-2'-yl)pyridine-2,6-dicarboxamidato-N,N',N'')-nickel(ii) dimethylformamide solvate |
To add a comment on this structure please contact us |
Deguang Huang, O. V. Makhlynets, Lay Ling Tan, S. C. Lee, E. V. Rybak-Akimova, R. H. Holm, Inorg. Chem., 2011, 50, 10070 | ICELEJ | 2011 |
| 5 |
Dicarbonyl-(6,6'-dihydroxy-2,2'-bipyridine)-rhodium(i) hexafluoro-antimonate acetone diethyl ether solvate |
To add a comment on this structure please contact us |
C. M. Conifer, R. A. Taylor, D. J. Law, G. J. Sunley, A. J. P. White, G. J. P. Britovsek, Dalton Trans., 2011, 40, 1031 | IMIFEQ | 2011 |
| 5 |
rac-7,12-Dimethyl-1,2,3,4,4a,5,7a,8-octahydrobenzo[d]carbazol-6(7H)-one |
To add a comment on this structure please contact us |
Quan Cai, Chao Zheng, Jun-Wei Zhang, Shu-Li You, Angew. Chem., Int. Ed., 2011, 50, 8665 | IYUWAB | 2011 |
| 5 |
Glycinium glycine perchlorate |
To add a comment on this structure please contact us |
L. Panicker, P. Mathur, S. M. Mobin, J. Chem. Cryst., 2011, 41, 147 | QURQOK01 | 2011 |
| 5 |
Glycinium glycine perchlorate |
To add a comment on this structure please contact us |
L. Panicker, P. Mathur, S. M. Mobin, J. Chem. Cryst., 2011, 41, 147 | QURQOK02 | 2011 |
| 5 |
glycinium glycine perchlorate |
To add a comment on this structure please contact us |
V. V. Gharzaryan, M. Fleck, A. M. Petrosyan, Proc. of SPIE - Int. Conf. Las. Phys. 2010, 2011, 7998, 79980F | QURQOK03 | 2011 |
| 5 |
Quinoxaline |
To add a comment on this structure please contact us |
R. Sathishkumar, S. Mahapatra, T. S. Thakur, G. R. Desiraju, Curr. Sci., 2010, 99, 1807 | HEYJOK02 | 2010 |
| 5 |
Tetraphenylphosphonium octahydrotriborate |
To add a comment on this structure please contact us |
M. A. Beckett, P. N. Horton, M. B. Hursthouse, C. Pszolla, Acta Crystallogr., Sect. E: Struct. Rep. Online, 2010, 66, o833 | KUTCUY | 2010 |
| 5 |
glycinium glycine perchlorate |
To add a comment on this structure please contact us |
V. V. Gharzaryan, M. Fleck, A. M. Petrosya, J. Mol. Struct., 2010, 977, 117 | QURQOK | 2010 |
| 5 |
1-Benzyl-6-thia-1-azaspiro[3.3]heptane 6,6-dioxide |
To add a comment on this structure please contact us |
J. A. Burkhard, C. Gurot, H. Knust, M. Rogers-Evans, E. M. Carreira, Org. Lett., 2010, 12, 1944 | VAFVOP | 2010 |
| 5 |
(E)-2-(methoxyimino)-2-phenylacetic acid |
To add a comment on this structure please contact us |
Yong-Jin Wu, S. Huang, A. Ng, Qi Gao, S. R. Kimura, D. R. Langley, Tetrahedron Lett., 2010, 51, 2144 | XAPKOQ | 2010 |
| 5 |
Cyclohexylammonium benzoate |
To add a comment on this structure please contact us |
J. A. Odendal, J. C. Bruce, K. R. Koch, D. A. Haynes, CrystEngComm, 2010, 12, 2398 | YABFUE | 2010 |
| 5 |
catena-((μ2-4,4'-bipyridine)-dichloro-zinc(ii)) |
No 3D coordinates. |
Yiming Xie, Jihuai Wu, J. Chem. Res., 2009, 38 | UBOCIX08 | 2009 |
| 5 |
(μ2-Hydrido)-(μ2-3-(sulfanyl)propanoic acid-S,S)-decacarbonyl-tri-osmium |
There are two unique COOH dimers in the asymmetric unit and one on a symmetry element |
Chunxiang Li, Weng Kee Leong, J. Organomet. Chem., 2008, 693, 1292 | DIZHOK | 2008 |
| 5 |
cis-1,2-dimethylcyclobutane-1,2-diol |
Two independent columns with different hydrogen bonded networks are observed |
T. Allscher, R. Betz, S. Herdlicka, P. Klufers, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2008, 64, o111 | KIWVES | 2008 |
| 5 |
((2,6-Dinitrophenyl)sulfanyl)acetonitrile |
NO2 groups involved in different interactions for each molecule |
J. Cerny, V. Bertolasi, J. Hanusek, V. Machacek, Heterocycles, 2008, 75, 1425 | MOQJAE | 2008 |
| 5 |
N,N'-Di-n-butylazulene-5,7-dicarbothioamide |
Molecules form a five-fold helix held together by N-H···S hydrogen bonds |
T. Zielinski, M. Kedziorek, J. Jurczak, Chem. -Eur. J., 2008, 14, 838 | WASKOR01 | 2008 |
| 5 |
3-(bis(Trifluoroacetoxy)iodo)benzoic acid |
Four of the five independent molecules form two hydrogen bonded acid dimers, the fifth molecule forms a symmetry related hydrogen bonded dimer. |
M. S. Yusubov, T. V. Funk, Ki-Whan Chi, Eun-Hye Cha, Ghyung Hwa Kim, A. Kirschning, V. V. Zhdankin, J. Org. Chem., 2008, 73, 295 | YIVHER | 2008 |
| 5 |
endo-(R,R,R)-8-Chloro-4-hydroxy-3-oxo-2-oxabicyclo(2.2.2)oct-5-ene-8-carbonitrile hydrate |
To add a comment on this structure please contact us. |
Yi Wang, Hongming Li, Yong-Qiang Wang, Yan Liu, B. M. Foxman, Li Deng, J. Am. Chem. Soc., 2007, 129, 6364 | CIFGEE | 2007 |
| 5 |
bis(Tetraethylammonium) tris(4-t-butylphenylthiolato)-copper(i) |
To add a comment on this structure please contact us. |
S. Zeevi, E. Y. Tshuva, Eur. J. Inorg. Chem., 2007, 5369 | DITTEG | 2007 |
| 5 |
tris(?2-3,5-bis(Trifluoromethyl)pyrazolato-N,N')-tri-silver(i) toluene solvate |
To add a comment on this structure please contact us. |
H. V. R. Dias, C. S. P. Gamage, J. Keltner, H. V. K. Diyabalanage, I. Omari, Y. Eyobo, N. R. Dias, N. Roehr, L. McKinney, T. Poth, Inorg. Chem., 2007, 46, 2979 | HICJEJ | 2007 |
| 5 |
9-Hydroxy-2-(morpholino)pyrido[1,2-a]pyrimidin-4-one 9-O-trifluoromethanesulfonate |
Synchrotron radiation |
O. R. Barbeau, C. Cano-Soumillac, R. J. Griffin, I. R. Hardcastle, G. C. M. Smith, C. Richardson, W. Clegg, R. W. Harrington, B. T. Golding, Org. Biomol. Chem., 2007, 5, 2670 | HIGLUF | 2007 |
| 5 |
31,32,33,34,35-Pentahydroxyhexacyclo(25.3.1.13,7.19,13.115,19.121,25)pentatriacontane p-xylene clathrate |
Asymmetric unit contains calixarenes in a number of enviroments including a calixareneencapsulated sideways by two other calixarenes |
T. E. Clark, M. Makha, A. N. Sobolev, S. J. Dalgarno, J. L. Atwood, C. L. Raston, Cryst. Growth Des., 2007, 7, 2059 | LIRXIU | 2007 |
| 5 |
Guanidinium 4-t-butylbenzenesulfonate hydrate |
Asymmetric unit contains 12 independent molecules in total held together by strong hydrogen bonds |
M. J. Horner, K. T. Holman, M. D. Ward, J. Am. Chem. Soc., 2007, 129, 14640 | LIVDEA | 2007 |
| 5 |
Caffeine |
Anhydrous Β-caffeine polymorph determined from powder diffraction |
C. W. Lehmann, F. Stowasser, Chem. -Eur. J., 2007, 13, 2908 | NIWFEE03 | 2007 |
| 5 |
1,1,3,3-Tetramethyl-2,3-dihydro-2-azaphenalen-2-oxyl |
Two of the molecules are disordered |
J. P. Blinco, J. C. McMurtrie, S. E. Bottle, Eur. J. Org. Chem., 2007, 4638 | SIRWOG | 2007 |
| 5 |
(R)-6-Chloro-3-(2-naphthyl)-3-(triethylsilyl)-1-indanone |
Resolved chiral molecule |
R. Shintani, K. Takatsu, T. Hayashi, Angew. Chem., Int. Ed., 2007, 46, 3735 | UDICIU | 2007 |
| 5 |
3-methoxy-5-(5-(trimethylsilyl)pyrrol-2-yl)pyrrole-2-carbaldehyde |
Four of the five independent molecules form two independent dimers with the fifth molecule forming a symmetry related dimer |
D. M. Pinkerton, M. G. Banwell, A. C. Willis, Org. Lett., 2007, 9, 5127 | VIRZUS | 2007 |
| 5 |
11-Trimethylsilanylmethyl-1,2,3,10-tetrahydrocyclopenta(b)anthracen-5-one |
To add a comment on this structure please contact us |
Jian-Jou Lian, Chung-Chang Lin, Hsu-Kai Chang, Po-Chiang Chen, Rai-Shung Liu, J. Am. Chem. Soc., 2006, 128, 9661 | JEMSEA | 2006 |
| 5 |
rac-1,3,5,7,9-Penta-t-butylcorannulene |
Molecules are extensively disordered |
Y. Sevryugina, A. Yu. Rogachev, E. A. Jackson, L. T. Scott, M. A. Petrukhina, J. Org. Chem., 2006, 71, 6615 | VEQWUK | 2006 |
| 5 |
catena-((μ2-4,4'-bipyridine-N,N')-dicyanato-zinc(ii)) |
Coordination polymer |
A. D. Bond, C. J. McKenzie, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2005, 61, m519 | DAYCEM | 2005 |
| 5 |
Diaqua-(15-crown-5)-copper(ii) dinitrate |
Room temperature data collection. See GAVPEY for incorrect Z' = 10 structure |
Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2005, 61, 675 | GAVPEY02 | 2005 |
| 5 |
Diaqua-(15-crown-5)-copper(ii) dinitrate |
Data collection at T = 88K. See GAVPEY for incorrect Z' = 10 structure |
Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2005, 61, 675 | GAVPEY03 | 2005 |
| 5 |
2,6-Di-t-butyl-4-(1-pyrazolyl)phenol |
Three different chains formed, two of the chains contain repeat units of two independent molecules with the third chain containing a repeat unit of one independent molecule |
Z. Delen, Chunping Xie, P. J. Hill, Jong Choi, P. M. Lahti, Cryst. Growth Des., 2005, 5, 1867 | KAVHOF | 2005 |
| 5 |
3',5'-Di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine |
Three hydrogen bonded chains formed, two chains have two independent molecules per chain and one has the remaining independent molecule |
A. Jarmula, W. R. Rypniewski, K. Felczak, W. Rode, Struct. Chem., 2005, 16, 541 | PAVYOB | 2005 |
| 5 |
2-(2-Bromoethyl)-4-methyl-5-phenyl-3-oxatricyclo[3.2.1.02,4]octane |
To add a comment on this structure please contact us |
Wei-Dong Z. Li, Yu-Rong Yang, Org. Lett., 2005, 7, 3107 | SASLOO | 2005 |
| 5 |
4-(4-Ethynylphenoxy)benzonitrile |
To add a comment on this structure please contact us |
A. Dey, G. R. Desiraju, Chem. Commun., 2005, 2486 | TAPPAC | 2005 |
| 5 |
N,N'-Di-n-butylazulene-5,7-dicarbothioamide |
Molecules form a five-fold helix held together by N-H···S hydrogen bonds |
T. Zielinski, M. Kedziorek, J. Jurczak, Tetrahedron Lett., 2005, 46, 6231 | WASKOR | 2005 |
| 5 |
1-(Perfluorobutyl)undecanoic acid |
Structure consists of four molecules plus two half molecules. Large Z' arises from conflicts in packing of CF2 and CH2 groups together |
H. -J. Lehmler, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2004, 60, 325 | AWAKEO | 2004 |
| 5 |
1,1,1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-iodo-1-thiaheptane |
Two of the independent molecules are disordered |
P. G. Nixon, J. Mohtasham, R. Winter, G. L. Gard, B. Twamley, J. M. Shreeve, J. Fluorine Chem., 2004, 125, 553 | EYILAZ | 2004 |
| 5 |
(+)-1,1'-(4,4'-dibromo-5,5'-bis(trimethylsilyl)-3,3'-bibisthieno(2,3-b:3',2'-d)thiene-2,2'-diyl)dioctan-1-one |
Resolved chiral species. For Z' = 1 racemate see FEXFEU |
M. Miyasaka, A. Rajca, M. Pink, S. Rajca, Chem. -Eur. J., 2004, 10, 6531 | FESMAS | 2004 |
| 5 |
2,2,4,4,6,6-hexakis(Iso-butylamino)cyclotriphosphazene |
Structure forms chains held together by N-H···N interactions |
J. F. Bickley, R. Bonar-Law, G. T. Lawson, P. I. Richards, F. Rivals, A. Steiner, S. Zacchini, Dalton Trans., 2003, 1235 | GUZWIH | 2003 |
| 5 |
(η6-Carbazolyl)-hydrido-tris(trimethylphosphine)-molybdenum |
Three dimers formed with short N···N contacts. Two dimers are between two independent molecules, the third dimer lies on a two-fold axis |
Guang Zhu, J. M. Tanski, D. G. Churchill, K. E. Janak, G. Parkin, J. Am. Chem. Soc., 2002, 124, 13658 | OHANUG | 2002 |
| 5 |
(μ2-1,2-Dicarba-closo-dodecaborane(10)-1,2-dithiolato-S,S,S',S')-bis(η5-cyclopentadienyl)-di-cobalt(iii) |
Three chains formed with two, two and one independent molecules per chain. |
Jae-Hong Won, Dae-Hyun Kim, Bo Young Kim, Sung-Joon Kim, Chongmok Lee, Sungil Cho, Jaejung Ko, Sang Ook Kang, Organometallics, 2002, 21, 1443 | XACTAW01 | 2002 |
| 5 |
bis(o-Xylene) nitrosonium hexachloro-antimonate |
Nitric oxide inclusion compound |
S. V. Rosokha, J. K. Kochi, J. Am. Chem. Soc., 2002, 124, 5620 | XIYVOQ | 2002 |
| 5 |
(9-Hydroxy-9-ethoxy-1,5-bis(methoxycarbonyl)-3,7-dimethyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo(3.3.1)nonane-N,N',N'',N''')-dichloro-chromium(iii) hexafluorophosphate acetonitrile solvate |
To add a comment on this structure please contact us |
P. Comba, M. Kerscher, M. Merz, V. Muller, H. Pritzkow, R. Remenyi, W. Schiek, Yun Xiong, Chem. -Eur. J., 2002, 8, 5750 | XUQBOA | 2002 |
| 5 |
5,11,17,23-Tetrabromo-25,26,27,28-tetrapropoxy-2,8,14,20-tetrathiacalix(4)arene |
Calixarene is in the 1,3-alternate conformation |
P. Lhotak, M. Himl, I. Stibor, J. Sykora, I. Cisarova, Tetrahedron Lett., 2001, 42, 7107 | MERFEU | 2001 |
| 5 |
4-Pyridone hydrate |
To add a comment on this structure please contact us. |
P. G. Jones, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 2001, 57, 880 | OCAZEX | 2001 |
| 5 |
(μ3-η5,η2,η2-(5-(Trimethylsilyl)ethynyl)-1,2,3,4-tetraphenyl-cyclopentadienyl)-(μ2-hydrido)-octacarbonyl-di-cobalt-iron |
No 3D coordinates |
J. A. Dunn, J. F. Britten, J. -C. Daran, M. J. McGlinchey, Organometallics, 2001, 20, 4690 | PUWJUM | 2001 |
| 5 |
(?5-1,3-bis(2-pyrrolylmethyl)cyclopentadienyl-N,N')-dimethylamido-titanium |
To add a comment on this structure please contact us. |
Won Seok Seo, Young Jaung Cho, Sung Cheol Yoon, Joon T.Park, Younbong Park, J.Organomet.Chem., 2001, 640, 79 | XIDXUD | 2001 |
| 5 |
26-Hydroxy-13-pentyl-17,20,20-trimethyl-2,14,16,19,21,24,28,30,33-nonaoxa-pentacyclo(23.7.1.015,23.018,22.027,32)tritriacontan-3-one diethyl ether solvate |
See BARHAD for a preliminary communication of this compound |
C. W. Lehmann, A. Furstner, Th. Muller, Z. Kristallogr., 2000, 215, 114 | BARHAD01 | 2000 |
| 5 |
N-(4-Methoxyphenyl)-N-(prop-2-ynyl)urea |
To add a comment on this structure please contact us. |
S. Kumar, K. Subramanian, R. Srinivasan, K. Rajagopalan, A. M. M. Schreurs, J. Kroon, T. Steiner, J. Mol. Struct., 2000, 520, 131 | RAHNUJ | 2000 |
| 5 |
(+)-(1S,2S)-Pseudoephedrinium (S)-4'-fluoromandelate dihydrate |
Co-crystal with two water molecules per pseudoephedrinium/fluoromandelate. Structure forms extended hydrogen bonded network. |
E. J. Valente, M. C. Moore, Chirality, 2000, 12, 16 | XEJMAA | 2000 |
| 5 |
26-Hydroxy-13-pentyl-17,20,20-trimethyl-2,14,16,19,21,24,28,30,33-nonaoxa-pentacyclo(23.7.1.015,23.018,22.027,32)tritriacontan-3-one diethyl ether solvate |
See BARHAD for a preliminary communication of this compound |
A. Furstner, T. Muller, J. Am. Chem. Soc., 1999, 121, 7814 | BARHAD | 1999 |
| 5 |
(bis(Diphenylphosphinoethyl)amino-N,P,P')-chloro-palladium(ii) chloride monohydrate |
Each of the independent molecules is in a different environment |
D. Walther, T. Dohler, K. Heubach, O. Klobes, B. Schweder, H. Gorls, Z. Anorg. Allg. Chem., 1999, 625, 923 | GOHQID | 1999 |
| 5 |
(μ2-1,2-Dicarbadodecaborane-1,2-dithiolato)-bis(η5-cyclopentadienyl)-di-cobalt(iii) |
Cif file not complete, only contains one independent molecule. Z given as 4 in paper. |
Dae-Hyun Kim, Jaejung Ko, Kwonil Park, Sungil Cho, Sang Ook Kang, Organometallics, 1999, 18, 2738 | XACTAW | 1999 |
| 5 |
bis(Trimethylsilylethynyl)-mercury(ii) |
Structure held together by Hg···Hg and Hg···η2-C2 interactions. For similar Z' = 8 structure see ZZZKFC01 |
S. J. Faville, W. Henderson, T. J. Mathieson, B. K. Nicholson, J. Organomet. Chem., 1999, 580, 363 | XAKYAJ | 1999 |
| 5 |
1,4-Diazanaphthalene |
To add a comment on this structure please contact us |
A. Anthony, G. R. Desiraju, R. K. R. Jetti, S. S. Kuduva, N. N. L. Madhavi, A. Nangia, R. Thaimattam, V. R. Thalladi, Crystal Engineering, 1998, 1, 1 | HEYJOK | 1998 |
| 5 |
(η5-Cyclopentadienyl)-(η5-2,4-di-phenylcyclopentadien-1-one)-cobalt |
Independent molecules differ with respect to the rotation of the groups bound to Cp |
H. Borwieck, O. Walter, E. Dinjus, J. Rebizant, J. Organomet. Chem., 1998, 570, 121 | JEGFOQ | 1998 |
| 5 |
(3aR*,7S*,7aS*,7bS*,10aS*,10bR*)-5,6,7,7a,7b,8,9,10,10a,10b-Decahydro-7,10b-dihydroxy-1,2-di-isopropoxydicyclopenta(a,c)inden-3(4H)-one |
Three different hydrogen bonded chains formed, two chains consist of repeating units of two independent molecules with the third chain repeat unit consisting of one independent molecule |
L. A. Paquette, A. T. Hamme II, Lung Huang Kuo, J. Doyon, R. Kreuzholz, J. Am. Chem. Soc., 1997, 119, 1242 | RERCIA | 1997 |
| 5 |
cis-4-Amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one hydrate |
Anhydrous Z' = 1 form also discussed in paper |
R. K. Harris, R. R. Yeung, R. B. Lamont, R. W. Lancaster, S. M. Lynn, S. E. Staniforth, J. Chem. Soc., Perkin Trans. 2, 1997, 2653 | RUKGUZ | 1997 |
| 5 |
(Z)-3-t-Butyl-2-(1,3-dithian-2-ylidene)-1-neopentylidene-5,9-dithiospiro(3.5)nonane |
To add a comment on this structure please contact us. |
T. Minami, T. Okauchi, H. Matsuki, M. Nakamura, J. Ichikawa, M. Ishida, J. Org. Chem., 1996, 61, 8132 | NISVAM | 1996 |
| 5 |
8-Hydroxy-N,N-dimethyl-1-naphthylamine |
Two molecules are extensively disordered |
E. Grech, J. Nowicka-Scheibe, Z. Olejnik, T. Lis, Z. Pawelka, Z. Malarski, L. Sobczyk, J. Chem. Soc., Perkin Trans. 2, 1996, 343 | ZOWLEC | 1996 |
| 5 |
(η5-Cyclopentadienyl)-(η3-2-(1-fluoro-2,4-di-t-butyl-1,3-diphosphacyclobut-2-enyl)-2-t-butyl-1-phosphaethenyl)-ruthenium |
To add a comment on this structure please contact us |
P. B. Hitchcock, C. Jones, J. F. Nixon, Angew. Chem., Int. Ed., 1994, 33, 463 | PILWEM | 1994 |
| 5 |
exo-2,exo-6-Dihydroxy-2,6-dimethyl-9-oxabicyclo(3.3.1)nonane |
Host-guest compound with four of the independent molecules forming the "host" and the remaining (disordered) molecule forming the guest |
K. C. Pich, R. Bishop, D. C. Craig, I. G. Dance, A. D. Rae, M. L. Scudder, Struct. Chem., 1993, 4, 41 | WASWAO | 1993 |
| 5 |
Triphenylchloromethane |
Structure consists of three dimers held together by short Cl···Cl contacts. Two of the dimers are between two independent molecules, the third dimer is between symmetry related molecules. |
B. Kahr, R. L. Carter, Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A, 1992, 219, 79 | ZZZVTY04 | 1992 |
| 5 |
4-Chloro-mercury-2,2,6,6-tetramethyl-cδ4-dehydropiperidine-1-oxide |
Short Hg···Cl interactions |
L. G. Kuz'mina, I. A. Litvinov, M. A. Porai-Koshits, Koord. Khim. (Russ. )(Coord. Chem. ), 1989, 15, 902 | JIJMEU | 1989 |
| 5 |
(1,4,8,11-Tetramethyl-1,4,8,11-tetra-azacyclotetradecane-N,N',N'',N''')-nickel(ii) diperchlorate |
Some nickel cations suffer from severe disorder and have not been resolved fully |
I. S. Crick, R. W. Gable, B. F. Hoskins, P. A. Tregloan, Inorg. Chim. Acta, 1986, 111, 35 | FIWREI | 1986 |
| 5 |
N-Ethylcarbazole |
To add a comment on this structure please contact us |
T. Kimura, Y. Kai, N. Yasuoka, N. Kasai, Bull. Chem. Soc. Jpn., 1985, 58, 2268 | ETCABZ10 | 1985 |
| 5 |
Sodium ceftizoxime hydrate |
No 3D coordinates |
A. Miyamae, S. Koda, Y. Morimoto, Acta Crystallogr., Sect. A: Found Crystallogr., 1984, 40, C76a | CITZUA | 1984 |
| 5 |
(1,5,9,13-Tetra-azacyclohexadecane-N1,N5,N9,N13)-lead dinitrate |
To add a comment on this structure please contact us |
N. W. Alcock, E. H. Curzon, P. Moore, J. Chem. Soc., Dalton Trans., 1984, 2813 | DAGHUO | 1984 |
| 5 |
(2R,5R,8R,11R)-1,4,7,10-Tetrabenzyl-2,5,8,11-tetraethyl-1,4,7,10-tetra-azacyclododecane cyclohexane clathrate |
No 3D coordinates |
T. Sakurai, K. Kobayashi, T. Kanari, T. Kawata, I. Higashi, S. Tsuboyama, K. Tsuboyama, Acta Crystallogr., Sect. B: Struct. Sci., 1983, 39, 84 | BOPBUD | 1983 |
| 5 |
(S)-(-)-alpha-Phenylethylammonium 1-methoxyaziridine-2,2-dicarboxylic acid cis-ethyl ester |
To add a comment on this structure please contact us. |
V. F. Rudchenko, O. A. D'yachenko, A. B. Zolotoi, L. O. Atovmyan, I. I. Chervin, R. G. Kostyanovskii, Tetrahedron, 1982, 38, 961 | BETMOC | 1982 |
| 5 |
Tricarbonyl-(η6-fulvene)-chromium |
To add a comment on this structure please contact us |
O. Koch, F. Edelmann, U. Behrens, Chem. Ber., 1982, 115, 1313 | BEXPID | 1982 |
| 5 |
Potassium fluoride malonic acid |
For Z' = 2.5 redetermination see BIHHEF01 (R. E. Marsh, Acta Cryst., Sect. B., 1997, 53, 317) |
J. Emsley, D. J. Jones, R. Kuroda, J. Chem. Soc., Dalton Trans., 1982, 1179 | BIHHEF | 1982 |
| 5 |
Sodium t-butoxide |
Redetermination of NABUOX (Z' = 15) |
J. E. Davies, J. Kopf, E. Weiss, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1982, 38, 2251 | NABUOX10 | 1982 |
| 5 |
Cesium tris(isonitrosomalonamido) iron(ii) hydrate |
Chains of alternating cations and anions |
C. L. Raston, A. H. White, R. M. Golding, J. Chem. Soc., Dalton Trans., 1977, 329 | INMFCS | 1977 |
| 5 |
N-Ethylcarbazole |
No 3D coordinates, see ETCABZ10 |
T. Kimura, Y. Kai, N. Yasuoka, N. Kasai, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Crystallogr., 1975, 31, S125 | ETCABZ | 1975 |
| 5.33 |
(μ3-1,1,1-tris(2-Phenylaminophenylaminomethyl)ethyl)-tris(dimethylphenylphosphine)-tri-cobalt tetrahydrofuran solvate |
To add a comment on this structure please contact us |
A. R. Fout, D. J. Xiao, Qinliang Zhao, T. D. Harris, E. R. King, E. V. Eames, Shao-Liang Zheng, T. A. Betley, Inorg. Chem., 2012, 51, 10290 | TELYIU | 2012 |
| 5.33 |
Poly(p-xylylene) |
Covalent polymer. Z' value refers to number of monomer repeats. |
S. Isoda, M. Tsuji, M. Ohara, A. Kawaguchi, K. Katayama, Polymer, 1983, 24, 1155 | HIDHAD | 1983 |
| 5.5 |
catena-(N,N,N,N',N',N'-Hexamethyl-1,10-decanediaminium magnesium-aluminophosphate hydrate) |
To add a comment on this structure please contact us. |
G. Muncaster, G. Sanker, C. R. A. Catlow, J. M. Thomas, R. G. Bell, P. A. Wright, S. Coles, S. J. Teat, W. Clegg, W. Reeve, Chem. Mater., 1999, 11, 158 | SIHFAQ | 1999 |
| 6 |
1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-aminium trifluoroacetate hydrate |
P.Lucaioli, E.Nauha, I.Singh, N.Blagden, Cryst.Growth Des., 2018 | BIFCOL | 2018 | |
| 6 |
1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-aminium trifluoroacetate pyridazine solvate |
P.Lucaioli, E.Nauha, I.Singh, N.Blagden, Cryst.Growth Des., 2018 | BIFJOS | 2018 | |
| 6 |
1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-aminium trifluoroacetate pyridazine hydrate |
P.Lucaioli, E.Nauha, I.Singh, N.Blagden, Cryst.Growth Des., 2018 | BIFKAF | 2018 | |
| 6 |
{[4-(pyrrolidin-1-yl)phenyl]methylidene}propanedinitrile |
S.Kotowicz, Danuta Sek, S.Kula, A.Fabianczyk, M.Siwy, M.Filapek, A.Szlapa-Kula, J.G.Malecki, M.Jonsson-Niedziolka, J.Niedziolka-Jonsson, K.Smolarek, S.Mackowski, E.Schab-Balcerzak, J.Lumin., 2018, 203, 455 | EBODOR02 | 2018 | |
| 6 |
1-(4-chlorophenyl)pyrrolidin-3-ol |
I.Ramakrishna, P.Ramaraju, M.Baidya, Org.Lett., 2018, 20, 1023 | HENBOU | 2018 | |
| 6 |
[1-(3-chloro-2-formylphenyl)naphthalen-2-yl]methyl 2,4,6-trichlorobenzoate dichloromethane solvate |
Linlin Ding, Xianwei Sui, Zhenhua Gu, ACS Catalysis, 2018, 8, 5630 | HIGHAJ | 2018 | |
| 6 |
(+)-6-hydroxy-8-methoxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-11a-(3-methylbut-2-en-1-yl)-2,3,3a,11a-tetrahydro-3,10a-methanofuro[3,2-b]xanthene-5,11-dione |
Awkward shape |
T.Sriyatep, C.Tantapakul, R.J.Andersen, B.O.Patrick, S.G.Pyne, C.Muanprasat, S.Seemakhan, S.Borwornpinyo, S.Laphookhieo, Fitoterapia, 2018, 124, 34 | JEDTIY | 2018 |
| 6 |
potassium bis(2-(dimethylamino)-5-methylphenyl)methanide tetrahydrofuran solvate |
D.O.Khristolyubov, D.M.Lyubov, A.V.Cherkasov, G.K.Fukin, A.S.Shavyrin, A.A.Trifonov, Organometallics, 2018, 37, 1627 | LEXYUL | 2018 | |
| 6 |
1,8-dimethyl-2,7-diaza-1,8-diboratapentacyclo[6.6.6.0$2,7!.0$9,14!.0$15,20!]icosa-2,4,6,9,11,13,15,17,19-nonaene-2,7-diium bromobenzene ethyl acetate solvate |
Longcheng Hong, S.Ahles, A.H.Heindl, G.Tietcha, A.Petrov, Zhenpin Lu, C.Logemann, H.A.Wegner, Beilstein J.Org.Chem., 2018, 14, 618 | PEZVIC | 2018 | |
| 6 |
2-(iodoethynyl)quinoline |
Chun-Fai Ng, Hak-Fun Chow, T.C.W.Mak, Angew.Chem.,Int.Ed., 2018, 57, 4986 | REZQOF02 | 2018 | |
| 6 |
2-(iodoethynyl)quinoline hexafluorobenzene |
Chun-Fai Ng, Hak-Fun Chow, T.C.W.Mak, Angew.Chem.,Int.Ed., 2018, 57, 4986 | REZREW | 2018 | |
| 6 |
3-(diphenylphosphorothioyl)-1-(6-methylpyridin-2-yl)-3-phenylpropan-1-one |
L.B.Balazs, Wee Shan Tay, Yongxin Li, S.A.Pullarkat, Pak-Hing Leung, Organometallics, 2018 | RIFYAJ | 2018 | |
| 6 |
2-(iodoethynyl)-1-methyl-1H-imidazole |
P.M.J.Szell, A.Siiskonen, L.Catalano, G.Cavallo, G.Terraneo, A.Priimagi, D.L.Bryce, Pierangelo Metrangolo, New J.Chem., 2018 | SEVVIB | 2018 | |
| 6 |
3-iodo-2-(4-methylphenyl)-6-[(4-nitrophenyl)diazenyl]-4-phenylquinoline trichloromethane solvate |
S.Yaragorla, A.Pareek, Eur.J.Org.Chem., 2018, 2018, 1863 | XEVREY | 2018 | |
| 6 |
{N$1!,N$2!-bis[2,6-bis(propan-2-yl)phenyl]acenaphthylene-1,2-diaminato}-tetrahydrofuran-(eta$5!-pentamethylcyclopentadienyl)-lanthanum(iii) toluene solvate |
I.L.Fedushkin, A.N.Lukoyanov, E.V.Baranov, Inorg.Chem., 2018, 57, 4301 | ZERZUU | 2018 | |
| 6 |
4-(1-cyclohexylethyl)-4H-1,2,4-triazole |
To add a comment on this structure please contact us |
I.A.Gural'skiy, V.A.Reshetnikov, I.V.Omelchenko, A.Szebesczyk, E.Gumienna-Kontecka, I.O.Fritsky, J.Mol.Struct., 2017, 1127, 164 | ASAQIW | 2017 |
| 6 |
2-[(1-{[4-(dimethylamino)phenyl]acetyl}pyrrolidin-2-yl)carbonyl]-N-(pyren-1-ylmethyl)hydrazinecarbothioamide acetonitrile solvate |
Xiaosheng Yan, CSD Communication(Private Communication), 2017 | CEFWOC | 2017 | |
| 6 |
bis(mu-N,N-bis(trimethylsilyl)amino)-(N,N,N',N'-tetramethylcyclohexane-1,2-diamine)-di-sodium |
To add a comment on this structure please contact us |
A.I.Ojeda-Amador, A.J.Martinez-Martinez, A.R.Kennedy, D.R.Armstrong, C.T.O'Hara, Chem.Commun., 2017, 53, 324 | DAJYEV | 2017 |
| 6 |
(R)-3-(4-methoxyphenoxy)propane-1,2-diol |
To add a comment on this structure please contact us |
R.R.Fayzullin, D.V.Zakharychev, A.T.Gubaidullin, O.A.Antonovich, D.B.Krivolapov, Z.A.Bredikhina, A.A.Bredikhin, Cryst.Growth Des., 2017, 17, 271 | DAMPEP | 2017 |
| 6 |
chloro-(phenylalaninato)-(6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine)-copper dihydrate |
Hydrogen bonded chains and inter-chain interactions forming around a water channel. |
Fang Shen, Ya-Xian Liu, Shu-Min Li, Chi-Kun Jiang, Bing-Feng Wang, Ya-Hong Xiong, Zong-Wan Mao, Xue-Yi Le, New J.Chem., 2017 | DEHCAX | 2017 |
| 6 |
(4-(pyrrolidin-1-yl)benzylidene)malononitrile |
To add a comment on this structure please contact us |
A.Nitti, F.Villafiorita-Monteleone, A.Pacini, C.Botta, T.Virgili, A.Forni, E.Cariati, M.Boiocchi, D.Pasini, Faraday Discuss., 2017, 143 | EBODOR | 2017 |
| 6 |
{[4-(pyrrolidin-1-yl)phenyl]methylidene}propanedinitrile |
Rigid, awkward shape with flat and bulky regions |
J.G.Malecki, CSD Communication(Private Communication), 2017 | EBODOR01 | 2017 |
| 6 |
3-bromo-5-([(2,2-dimethylpropanoyl)amino]{4-hydroxy-3-[methyl(phenyl)carbamoyl]phenyl}methyl)-2-hydroxy-N-methyl-N-phenylbenzamide |
Awkward shape, amide hydrogen bonding |
A.E.Hurtley, E.A.Stone, A.J.Metrano, S.J.Miller, J.Org.Chem., 2017, 82, 11326 | FESLIB | 2017 |
| 6 |
6,7,10,11-tetramethyl-14-[(triethylsilyl)oxy]-2,3,7,8,10,10a-hexahydro-1H-4,7-methano-3a,10-propanocyclopenta[9]annulene-1,9(6H)-dione |
Awkward shape |
Mingshuo Zeng, S.K.Murphy, S.B.Herzon, J.Am.Chem.Soc., 2017, 139, 16377 | GEPVIJ | 2017 |
| 6 |
4-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-3H-1,2,3,5-dithiadiazol-3-yl radical |
Radical interaction, beta polymorph of GEQLUM04 from subimation |
Y.Beldjoudi, Rui Sun, A.Arauzo, J.Campo, R.J.Less, J.M.Rawson, Cryst.Growth Des., 2017, 18, 179 | GEQLUM05 | 2017 |
| 6 |
acetamidinium triiodo-tin(ii) |
To add a comment on this structure please contact us |
C.C.Stoumpos, Lingling Mao, C.D.Malliakas, M.G.Kanatzidis, Inorg.Chem., 2017, 56, 56 | JANPIA | 2017 |
| 6 |
S,S-bis(2-hydroxypropylthio)(ethylenedithio)tetrathiafulvalene triodide |
Hydrogen bonding and aromatic stacking. Stereoisomer of isomorphous KAWDUK. |
L.Martin, J.D.Wallis, M.Guziak, P.Maksymiw, F.Konalian-Kempf, A.Christian, S.Nakatsuji, J.Yamada, H.Akutsu, Dalton Trans., 2017, 46, 4225 | KAWDAQ01 | 2017 |
| 6 |
R,R-bis(2-hydroxypropylthio)(ethylenedithio)tetrathiafulvalene triodide |
Hydrogen bonding and aromatic stacking. Stereoisomer of isomorphous KAWDAQ01 |
L.Martin, J.D.Wallis, M.Guziak, P.Maksymiw, F.Konalian-Kempf, A.Christian, S.Nakatsuji, J.Yamada, H.Akutsu, Dalton Trans., 2017, 46, 4225 | KAWDUK | 2017 |
| 6 |
(P)-t-butyl (2-{[2-({2-[(2-{[2-({2-[(6-{[6-({6-[(2,2-dimethylpropanoyl)amino]pyridin-2-yl}carbamoyl)pyridine-2-carbonyl]amino}pyridin-2-yl)carbamoyl]-8-fluoro-4-isobutoxyquinolin-7-yl}carbamoyl)-8-fluoro-4-isobutoxyquinolin-7-yl]carbamoyl}-8-fluoro-4-isobutoxyquinolin-7-yl)carbamoyl]-8-fluoro-4-isobutoxyquinolin-7-yl}carbamoyl)-8-fluoro-4-isobutoxyquinolin-7-yl]carbamoyl}-8-fluoro-4-isobutoxyquinolin-7-yl)carbamate hemikis((S,S)-bis(1-phenylethyl) octane-1,8-diyldicarbamate) unknown solvate |
Double Helical foldamer structure about a centra thread. Three independent double helices. |
Quan Gan, Xiang Wang, B.Kauffmann, F.Rosu, Y.Ferrand, Ivan Huc, Nature Nanotechnology, 2017, 12, 447 | LAQBUD | 2017 |
| 6 |
tricarbonyl-(1,10-phenanthroline)-(4-aminopyridine)-rhenium trifluoromethanesulfonate diethyl ether unknown solvate |
Awkward rigid molecular shape |
K.S.Kisel, A.S.Melnikov, E.V.Grachova, P.Hirva, S.P.Tunik, I.O.Koshevoy, Chem.-Eur.J., 2017, 23, 11301 | LEGKAM | 2017 |
| 6 |
(tris(2-aminoethyl)amine)-nitrato-zinc nitrate |
Amine ligand to nitrate hydrogen bonding. |
D.Sivanesan, Min Hye Youn, A.Murnandari, Ji Min Kang, Ki Tae Park, Hak Joo Kim, Soon Kwan Jeong, J.Ind.Eng.Chem.(Seoul, Repub.Korea), 2017, 52, 287 | MARDAN | 2017 |
| 6 |
cyclohexanaminium chloro(difluoro)acetate |
Ammonium carboxylate salt |
Jing Zhang, Zhihua Sun, Weichuan Zhang, Chengmin Ji, Sijie Liu, Shiguo Han, Junhua Luo, Cryst.Growth Des., 2017 | MAWKED | 2017 |
| 6 |
(2-(diphenylphosphanyl)-3,4,5,6-tetrafluorophenyl)-((ethane-1,2-diyl)bis(diphenylphosphane))-palladium(ii) hexafluorophosphate |
Awkward rigid molecular shape isomorphous with Pt analogue MECGOT |
R.Gericke, M.A.Bennett, S.H.Priver, S.K.Bhargava, Organometallics, 2017, 36, 3178 | MECGIN | 2017 |
| 6 |
(2-(diphenylphosphanyl)-3,4,5,6-tetrafluorophenyl)-((ethane-1,2-diyl)bis(diphenylphosphane))-platinum(ii) hexafluorophosphate |
Awkward rigid molecular shape isomorphous with Pd analogue MECGIN |
R.Gericke, M.A.Bennett, S.H.Priver, S.K.Bhargava, Organometallics, 2017, 36, 3178 | MECGOT | 2017 |
| 6 |
acetonitrile-(3-methyl-2-(pentafluorophenylamidocarbonyl)phenyl)-(pentamethyl-cyclopentadienyl)-rhodium |
Awkward rigid molecular shape |
Huai-Wei Wang, Yi Lu, Bing Zhang, Jian He, Hua-Jin Xu, Yan-Shang Kang, Wei-Yin Sun, Jin-Quan Yu, Angew.Chem.,Int.Ed., 2017, 56, 7449 | NEGKAO | 2017 |
| 6 |
pentacyclo[10.2.1.1$5,8!.0$2,11!.0$4,9!]hexadeca-6,13-diene-3,10-diol |
Dialcohol hydrogen bonded chain strucure |
M.J.Stoermer, W.A.Wickramasinghe, K.A.Byriel, D.C.R.Hockless, B.W.Skelton, A.N.Sobolev, A.H.White, Jeffrey Y.W Mak, D.P.Fairlie, Eur.J.Org.Chem., 2017, 6793 | NENZIS | 2017 |
| 6 |
N-(1,3-benzothiazol-2-yl)acetamide monohydrate |
To add a comment on this structure please contact us |
U.Balijapalli, S.Udayadasan, V.P.Muralidharan, D.K.Sukumarapillai, E.Shanmugam, A.P.Gopal, R.S.Rathore, S.K.Iyer, Spectrochim.Acta,Part A, 2017, 173, 572 | OYETET | 2017 |
| 6 |
2,3,5,6,8,9-hexakis(methylsulfanyl)-4,7-dihydro-1H-tricyclopenta[def,jkl,pqr]triphenylene |
Stacked bowl-in-bowl structure |
Yoshiaki Shoji, T.Kajitani, F.Ishiwari, Qiang Ding, H.Sato, H.Anetai, T.Akutagawa, H.Sakurai, T.Fukushima, Chemical Science, 2017, 8, 8405 | PEPXOA | 2017 |
| 6 |
5,8,11,13-tetrahydroxy-2,7a,10,10,13a-pentamethyl-1,7a,8,9,9a,10,11,12,13,13a,13b,14-dodecahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-4-one unknown solvate hydrate |
Fermentation product. Flat and bulky regions. |
Fan-Dong Kong, Qing-Yun Ma, Sheng-Zhuo Huang, Pei Wang, Jun-Feng Wang, Li-Man Zhou, Jing-Zhe Yuan, Hao-Fu Dai, You-Xing Zhao, J.Nat.Prod., 2017, 80, 1039 | QAMWUZ | 2017 |
| 6 |
4-(2-chloro-5-fluorophenyl)-1,2,3,5-dithiadiazolyl radical |
Radical pairing interactions |
C.P.Constantinides, E.Carter, D.Eisler, Y.Beldjoudi, D.M.Murphy, J.M.Rawson, Cryst.Growth Des., 2017 | QASDUM | 2017 |
| 6 |
dichloro-(N,N-dimethylformamide)-tin |
M.Ozaki, Y.Katsuki, Jiewei Liu, T.Handa, R.Nishikubo, S.Yakumaru, Y.Hashikawa, Y.Murata, T.Saito, Y.Shimakawa, Y.Kanemitsu, A.Saeki, A.Wakamiya, ACS Omega, 2017, 2, 7016 | QIBJIX | 2017 | |
| 6 |
N-(2,4-dibenzyl-3-(4-chlorophenyl)-5-oxo-1,2-oxazolidin-4-yl)benzamide |
Amide hydrogen bonding |
Hong-Wu Zhao, Yue-Yang Liu, Yu-Di Zhao, Hai-Liang Pang, Xiao-Qin Chen, Xiu-Qing Song, Ting Tian, Bo Li, Zhao Yang, Juan Du, Ning-Ning Feng, Org.Lett., 2017, 19, 26 | SAMPUU | 2017 |
| 6 |
catena-((mu-(benzene-1,3,5-triyl)tris(methylene) tris(pyridine-4-carboxylate))-(trifluoromethanesulfonato)-silver (R)-(-)-glycidyl butyrate solvate) |
Stacked and threaded silver(I) coordination polymer with chiral guest; opposite enantiomer of SEHZAJ |
Daye Choi, H.Lee, Jeong Jun Lee, Ok-Sang Jung, Cryst.Growth Des., 2017, 17, 6677 | SEHYUC | 2017 |
| 6 |
catena-((mu-(benzene-1,3,5-triyl)tris(methylene) tris(pyridine-4-carboxylate))-(trifluoromethanesulfonato)-silver (S)-(+)-glycidyl butyrate solvate) |
Stacked and threaded silver(I) coordination polymer with chiral guest; opposite enantiomer of SEHYUC |
Daye Choi, H.Lee, Jeong Jun Lee, Ok-Sang Jung, Cryst.Growth Des., 2017, 17, 6677 | SEHZAJ | 2017 |
| 6 |
1-(2-fluoro-1,1-diphenylethyl)-1H-benzotriazole |
Rigid awkward shape |
Qiao Zhang, Guangfan Zheng, Qian Zhang, Yan Li, Qian Zhang, J.Org.Chem., 2017, 82, 8258 | TEGBEP | 2017 |
| 6 |
2-azaniumylheptanoate |
Layered amino acid structure, Polymorph I of TETBUS02 |
M.M.H.Smets, M.B.Pitak, J.Cadden, V.R.Kip, G.A.de Wijs, E.R.H.van Eck, P.Tinnemans, Hugo Meekes, Elias Vlieg, S.J.Coles, H.M.Cuppen, Cryst.Growth Des., 2017, 18, 242 | TETBUS01 | 2017 |
| 6 |
N,N'-(4,5-dihydroxy-1,2-phenylene)bis[bis(dimethylamino)methaniminium] bis(chloride) |
Awkwardly shaped dialcohol with guanidinium chloride binding domain |
D.F.Schrempp, E.Schneider, E.Kaifer, H.Wadepohl, H.-J.Himmel, Chem.-Eur.J., 2017, 23, 11636 | VAYJUD | 2017 |
| 6 |
bis(1,5-cyclooctadiene-cyclopentadienyl-iron)-zinc |
Awkward shape organometallic dumbbell |
A.Casitas, H.Krause, S.Lutz, R.Goddard, E.Bill, A.Furstner, Organometallics, 2017 | VECZOV01 | 2017 |
| 6 |
2,3-dichloro-5,12-bis(2,4,6-trimethylphenyl)-5,12-dihydrobenzo[b]boranthrene toluene solvate |
Very rigid awkwardly shaped molecule. |
A.John, M.Bolte, H.-W.Lerner, M.Wagner, Angew.Chem.,Int.Ed., 2017 | WARVAP | 2017 |
| 6 |
1-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0$1,5!]decan-4-yl)-2-vinylhexa-4,5-dien-1-one |
Resolved chiral molecule |
N.Thieme, B.Breit, Angew.Chem.,Int.Ed., 2017, 56, 1520 | WAWPES | 2017 |
| 6 |
1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol |
Bulky monoalcohol |
A.A.Bredikhin, Z.A.Bredikhina, A.V.Kurenkov, D.B.Krivolapov, Tetrahedron:Asymm., 2017, 28, 442 | XALYIV | 2017 |
| 6 |
bis(tetra-n-butylammonium) dihydrogen diphosphate 6,18,30,42-tetramethyl-3,4,5,8,15,16,17,20,27,28,29,32,39,40,41,44,49,51,53,55-icosa-azanonacyclo[43.3.1.1$2,5!.1$9,13!.1$14,17!.1$21,25!.1$26,29!.1$33,37!.1$38,41!]hexapentaconta-1(49),2(56),3,9(55),10,12,14(54),15,21(53),22,24,26(52),27,33(51),34,36,38(50),39,45,47-icosaene-7,19,31,43-tetrone dimethyl sulfoxide unknown solvate hydrate |
Dimeric aggregates of a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole around a central dihydrogen diphosphate anion. Solvate of XAZPOG |
Disha Mungalpara, A.Valkonen, K.Rissanen, S.Kubik, Chemical Science, 2017, 8, 6005 | XAZPUM | 2017 |
| 6 |
(tris(2-(((1,3-thiazol-4-yl)methylidene)amino)ethyl)amine)-iron(ii) bis(tetrafluoroborate) |
Z' = 1 to Z' =6 transition arising from thermal spin-crossover behaviour |
R.Kulmaczewski, O.Cespedes, M.A.Halcrow, Inorg.Chem., 2017, 56, 3144 | YAQVIY | 2017 |
| 6 |
4-Methylpyridinium aqua-(2,2',2''-nitrilotriacetato)-oxo-vanadium(iv) |
Pyridinium to carblxylate hydrogen bonding |
A.Tesmar, D.Wyrzykowski, K.Kazimierczuk, Julia Klak, S.Kowalski, I.Inkielewicz-Stepniak, J.Drzezdzon, D.Jacewicz, L.Chmurzynski, Z.Anorg.Allg.Chem., 2017, 643, 501 | YAXVAX | 2017 |
| 6 |
3,7,11-tri-t-butyl[1,4]benzothiazino[2,3,4-kl]phenothiazinium radical cation hexafluoro-antimony dichloromethane solvate |
Interesting saddle molecular shape |
B.Gliemann, A.G.Petrovic, E.M.Zolnhofer, F.Hampel, G.Breitenbruch, Philipp Schulze, V.Raghavan, K.Meyer, P.L.Polavarapu, N.Berova, M.Kivala, Chem.Asian J., 2017, 12, 31 | ZAQKOU | 2017 |
| 6 |
4-ferrocenyl-3-[(triethylsilyl)oxy]azetidin-2-one |
Resolved chiral ferrocene beta-lactam derivative |
D.Plazuk, A.Wieczorek, W.M.Ciszewski, K.Kowalczyk, A.Blauz, S.Pawledzio, A.Makal, C.Eurtivong, H.J.Arabshahi, J.Reynisson, C.G.Hartinger, B.Rychlik, ChemMedChem, 2017, 12, 1882 | ZEJJEG | 2017 |
| 6 |
4-fluoro-3-nitrobenzoic acid 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Carboxylic acid purine cocrystal |
A.B.Singaraju, Kyle Nguyen, P.Gawedzki, F.Herald, G.Meyer, D.Wentworth, D.C.Swenson, L.L.Stevens, Cryst.Growth Des., 2017, 17, 6741 | ZEKPIR | 2017 |
| 6 |
bis(dibutylcarbamodithioato)-gold(iii) tetrachloro-zinc(ii) |
Planar gold(III) dithiocarbamate with bulky end groups |
A.V.Ivanov, O.V.Loseva, T.A.Rodina, A.I.Smolentsev, Koord.Khim.(Russ.)(Coord.Chem.), 2017, 43, 512 | ZELNEM | 2017 |
| 6 |
3,3'-Sulfanediylbis(9c-methoxy-6,9-diphenyl-9cH-8b,9b,9d-triaza-9c-boratricyclopenta[cd,gh,kl]phenalene-8b-ium-9c-ide) |
To add a comment on this structure please contact us |
G.Copley, D.Shimizu, Juwon Oh, Jooyoung Sung, Ko Furukawa, Dongho Kim, A.Osuka, Eur.J.Org.Chem., 2016, 1977 | AKOREZ | 2016 |
| 6 |
(2-((2-(5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl)hydrazono)methyl)phenol)-(2-((2-(5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl)hydrazono)methyl)phenolato)-nickel(ii) chloride unknown solvate monohydrate |
To add a comment on this structure please contact us |
C.Deckert, D.Bittner, L.M.Carrella, D.Schollmeyer, E.Rentschler, Eur.J.Inorg.Chem., 2016, 1738 | AKUPED | 2016 |
| 6 |
chloro-{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-cobalt chloride methanol solvate hemihydrate |
Extensive edge-to-face aromatic interactions and an apparently awkward shape |
Wang Junfei, CSD Communication(Private Communication), 2016 | ALOPOI | 2016 |
| 6 |
3-(pentafluoroethyl)-1H-pyrazole-4-carbonitrile |
To add a comment on this structure please contact us |
P.Mykhailiuk, CSD Communication(Private Communication), 2016 | APURIO | 2016 |
| 6 |
4-(2-(1-(pyridin-3-yl)ethylidene)hydrazino)benzoic acid |
To add a comment on this structure please contact us |
G.S.Hall, M.J.Angeles, J.Hicks, D.R.Turner, CrystEngComm, 2016, 18, 6614 | ARUZOE | 2016 |
| 6 |
(R)-3,3'-Dimethoxy-5,5'-spirobi[dibenzo[b,d]silole] |
To add a comment on this structure please contact us |
M.Murai, Y.Takeuchi, K.Yamauchi, Y.Kuninobu, K.Takai, Chem.-Eur.J., 2016, 22, 6048 | BEYKAT01 | 2016 |
| 6 |
(2,2'-{cyclohexane-1,2-diylbis[azanylylidenemethanylylidene]}bis[6-t-butyl-4-(trifluoromethyl)phenolato])-nitrido-manganese(v) |
To add a comment on this structure please contact us |
R.M.Clarke, T.Storr, J.Am.Chem.Soc., 2016, 138, 15299 | DAHWAN | 2016 |
| 6 |
1-(biphenyl-4-yl)-2-((2R,6R)-methyl-6-phenyltetrahydro-2H-pyran-2-yl)ethanone |
Rigid, awkward shape with flat and bulky regions |
N.Yoneda, A.Matsumoto, K.Asano, S.Matsubara, Chem.Lett., 2016, 45, 1300 | EDOZAB | 2016 |
| 6 |
(1-(5-t-Butyl-2-oxyphenyl)-3-((pyridin-2-yl)methyl)imidazol-2-ylidene)-chloro-palladium chloroform solvate |
To add a comment on this structure please contact us |
Dandan Yang, Yungang Tang, Haibin Song, Baiquan Wang, Organometallics, 2016, 35, 1392 | EMEPIX | 2016 |
| 6 |
n-butyl(trimethyl)ammonium pentacyanocyclopentadienide |
To add a comment on this structure please contact us |
Yuya Bando, Y.Haketa, T.Sakurai, W.Matsuda, Shu Seki, H.Takaya, H.Maeda, Chem.-Eur.J., 2016, 22, 7842 | ENOJAU | 2016 |
| 6 |
bis(mu-chloro)-tetrakis(N,N-di-isopropylamino)-bis(tetrahydrofuran)-di-yttrium |
Isomorphous with ERECAH |
T.Spallek, Oliver He, M.Meermann-Zimmermann, C.Meermann, M.G.Klimpel, F.Estler, D.Schneider, W.Scherer, M.Tafipolsky, K.W.Tornroos, C.Maichle-Mossmer, P.Sirsch, R.Anwander, Dalton Trans., 2016, 45, 13750 | ERECAH | 2016 |
| 6 |
bis(mu-chloro)-tetrakis(N,N-di-isopropylamino)-bis(tetrahydrofuran)-di-lutetium |
isomorphous with ERECEL |
T.Spallek, Oliver He, M.Meermann-Zimmermann, C.Meermann, M.G.Klimpel, F.Estler, D.Schneider, W.Scherer, M.Tafipolsky, K.W.Tornroos, C.Maichle-Mossmer, P.Sirsch, R.Anwander, Dalton Trans., 2016, 45, 13750 | ERECEL | 2016 |
| 6 |
phenyl-(4-phenyl-2-((5-((4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylene)pyrrolidin-2-ylidene)methyl)-4,5-dihydro-1,3-oxazolato)-nickel |
To add a comment on this structure please contact us |
C.A.Rettenmeier, Jan Wenz, H.Wadepohl, L.H.Gade, Inorg.Chem., 2016, 55, 8214 | ETEFOA | 2016 |
| 6 |
5,5'-dihexyl-2,2',8,8'-tetrakis(pentan-3-yl)-1H,1'H-[11,11'-bi-2,5,8-triazadibenzo[cd,lm]cyclopenta[ghi]perylene]-1,1',3,3',7,7',9,9'(2H,2'H,5H,5'H,8H,8'H)-octone methylbenzene toluene solvate |
To add a comment on this structure please contact us |
A.D.Hendsbee, Jon-Paul Sun, Wai Kit Law, He Yan, I.G.Hill, D.M.Spasyuk, G.C.Welch, Chem.Mater., 2016, 28, 7098 | EZETUA | 2016 |
| 6 |
t-butyl (7-azido-1,6,8-tris(6-bromo-1H-indol-3-yl)-5-((t-butyl(dimethyl)silyl)oxy)hexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene)carbamate |
To add a comment on this structure please contact us |
Maoqun Tian, Ming Yan, P.S.Baran, J.Am.Chem.Soc., 2016, 138, 14234 | HAFCID | 2016 |
| 6 |
Diethylammonium 1,3,2-dioxaphosphinane-2-thiolate 2-sulfide |
To add a comment on this structure please contact us |
E.K.Badeeva, Angelo Santomenna, A.T.Gubaidullin, L.V.Frolova, S.Rogelj, E.S.Batyeva, O.G.Sinyashin, Phosphorus,Sulfur,Silicon,Relat.Elem., 2016, 191, 405 | IJUDIC | 2016 |
| 6 |
(mu!2$-2,2'-Diphenylethene-1,1-diylbis(1,4-phenylene))-tetrakis(triethylphosphine)-bis(ntirato)-di-platinum |
To add a comment on this structure please contact us |
Xuzhou Yan, Ming Wang, T.R.Cook, Mingming Zhang, M.L.Saha, Zhixuan Zhou, Xiaopeng Li, Feihe Huang, P.J.Stang, J.Am.Chem.Soc., 2016, 138, 4580 | ILUCUP | 2016 |
| 6 |
6-Methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-yl N-(t-butoxycarbonyl)phenylalaninate |
To add a comment on this structure please contact us |
Yu.Kawamata, T.Hashimoto, K.Maruoka, J.Am.Chem.Soc., 2016, 138, 5206 | IMONUV | 2016 |
| 6 |
5-iodo-1-phenyl-1H-imidazole |
To add a comment on this structure please contact us |
Yichen Wu, S.Izquierdo, P.Vidossich, A.Lledos, A.Shafir, Angew.Chem.,Int.Ed., 2016, 55, 7152 | ISEBUF | 2016 |
| 6 |
5-(carbamoylamino)-2-hydroxybenzoic acid acetonitrile solvate |
See IVORIW for the isomorphous acetone solvate |
S.R.Kennedy, A.Miquelot, J.A.Aguilar, J.W.Steed, Chem.Commun., 2016, 52, 11846 | IVORES | 2016 |
| 6 |
N,N'-bis(pyridin-4-yl)imidoformamide tetrahydrofuran solvate |
To add a comment on this structure please contact us |
Wayne Hsu, Xiang-Kai Yang, P.M.Chhetri, J.-D.Chen, Polymers, 2016, 8, 137 | JAQQAW | 2016 |
| 6 |
4-fluoro-3,5-diphenyl-1,2-oxazole |
To add a comment on this structure please contact us |
K.Sato, G.Sandford, Keiji Shimizu, S.Akiyama, M.J.Lancashire, D.S.Yufit, A.Tarui, M.Omote, I.Kumadaki, S.Harusawa, A.Ando, Tetrahedron, 2016, 72, 1690 | LADQAL | 2016 |
| 6 |
(S)-2-aminohexanoic acid |
To add a comment on this structure please contact us |
C.H.Gorbitz, P.Karen, M.Dusek, V.Petricek, IUCrJ, 2016, 3, 341 | LNLEUC11 | 2016 |
| 6 |
dichloro-(1,1,1-trimethyl-N-(2,4,6-tri-t-butylphenyl)silanamido)-bismuth |
To add a comment on this structure please contact us |
Christian Hering-Junghans, Axel Schulz, M.Thomas, A.Villinger, Dalton Trans., 2016, 45, 6053 | MABLAF01 | 2016 |
| 6 |
2,5-diphenyl-1,3,4-oxadiazole |
To add a comment on this structure please contact us |
T.Kotipalli, V.Kavala, A.Konala, D.Janreddy, Chu-Wei Kuo, Ching-Fa Yao, Adv.Synth.Catal., 2016, 2652 | NAXDIZ05 | 2016 |
| 6 |
(N'-(5-bromo-2-(oxy)benzylidene)-N-methylcarbamohydrazonothioato)-(2-(5-bromo-2-(oxy)benzylidene)-N-methylhydrazinecarbothioamidato)-iron monohydrate |
Also determined as OMANIB02 |
Zhao-Yang Li, H.Ohtsu, T.Kojima, Jing-Wei Dai, T.Yoshida, B.K.Breedlove, Wei-Xiong Zhang, H.Iguchi, O.Sato, M.Kawano, M.Yamashita, Angew.Chem.,Int.Ed., 2016, 55, 5184 | OMANIB01 | 2016 |
| 6 |
1,3-benzothiazol-2(3H)-iminium chloride monohydrate |
To add a comment on this structure please contact us |
N.Hojnik, M.Kristl, G.Ferk, A.Golobic, M.Turel, Z.Jaglicic, M.Drofenik, J.Coord.Chem., 2016, 69, 1484 | OPIZIY | 2016 |
| 6 |
2-(diphenylarsino)-1-methylpyridinium trifluoromethanesulfonate |
To add a comment on this structure please contact us |
J.W.Dube, Yiying Zheng, W.Thiel, M.Alcarazo, J.Am.Chem.Soc., 2016, 138, 6869 | OQINOT | 2016 |
| 6 |
tetrakis(mu-n-butylsulfido)-dodecacarbonyl-tetra-manganese |
To add a comment on this structure please contact us |
S.Glaser, Ralf Mede, H.Gorls, S.Seupel, C.Bohlender, R.Wyrwa, S.Schirmer, S.Dochow, G.U.Reddy, Jurgen Popp, M.Westerhausen, A.Schiller, Dalton Trans., 2016, 13222 | ORIREO | 2016 |
| 6 |
Bromo-(dimethylcarbamoselenothioato)-triphenylphosphine-nickel |
To add a comment on this structure please contact us |
M.El-khateeb, H.Gorls, Wolfgang Weigand, L.R.Almazahreh, Polyhedron, 2016, 106, 27 | SADQEW | 2016 |
| 6 |
3,3'-bis(Iodo)-2,2'-bis(methoxymethoxy)biphenyl |
To add a comment on this structure please contact us |
K.W.Bentley, L.A.Joyce, E.C.Sherer, Huaming Sheng, C.Wolf, C.J.Welch, J.Org.Chem., 2016, 81, 1185 | TADWIH | 2016 |
| 6 |
4,5-dihydroxy-3,3,10-trimethyloxecane-2,7-dione hemihydrate |
To add a comment on this structure please contact us |
Jian Wang, Rongbiao Tong, J.Org.Chem., 2016, 81, 4325 | UPEWAP | 2016 |
| 6 |
dioxo-(9-(((quinolin-8-yl)imino)methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-olato)-vanadium(v) hydrate |
To add a comment on this structure please contact us |
Yingjie Zhang, D.J.Fanna, N.D.Shepherd, I.Karatchevtseva, Kim Lu, Linggen Kong, J.R.Price, RSC Advances, 2016, 6, 75045 | USEJOT | 2016 |
| 6 |
N-(2-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-amine |
To add a comment on this structure please contact us |
A.Mariappan, K.Rajaguru, N.M.Chola, S.Muthusubramanian, N.Bhuvanesh, J.Org.Chem., 2016, 81, 6573 | UTIFIO | 2016 |
| 6 |
ammonium 5,5-dimethoxy-1,3,2-dioxaphosphinan-2-olate 2-oxide |
Also determined as VIVSAV04 |
K.A.Slepokura, Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat., 2016, 72, 117 | VIVSAV03 | 2016 |
| 6 |
(2-(Dimethylaminomethyl)phenyl-C,N)-(2-(dimethylaminomethyl)phenyl)-n-butyl-chloro-tin |
To add a comment on this structure please contact us |
Petr Svec, Z.Ruzickova, P.Vlasak, Jan Turek, F.De Proft, A.Ruzicka, J.Organomet.Chem., 2016, 801, 14 | WUVKUV | 2016 |
| 6 |
(-)-N-[(5S,7aR)-7a-Methyl-4-phenyl-2-tosyl-2,3,5,6,7,7a-hexahydro-1H-isoindol-5-yl]acetamide |
Awkward shape and amide hydrogen bonding |
K.Masutomi, H.Sugiyama, H.Uekusa, Yu Shibata, K.Tanaka, Angew.Chem.,Int.Ed., 2016, 55, 15373 | XAVHAG | 2016 |
| 6 |
11-hydroxy-3-isobutyl-4,5,8-trimethyl-2,3,3a,4,6a,9,10,11,13,14-decahydro-1H-cycloundeca[d]isoindole-1,12,15-trione methanol solvate |
To add a comment on this structure please contact us |
Hucheng Zhu, Chunmei Chen, Yongbo Xue, Qingyi Tong, Xiao-Nian Li, Xintao Chen, Jianping Wang, Guangmin Yao, Zengwei Luo, Yonghui Zhang, Angew.Chem.,Int.Ed., 2015, 54, 13374 | BUTMUA | 2015 |
| 6 |
(6-(Buta-2,3-dien-1-yl)-4-hydroxy-3-methyltetrahydro-2H-pyran-2-yl)acetic acid |
To add a comment on this structure please contact us |
A.M.Haydl, B.Breit, Angew.Chem.,Int.Ed., 2015, 54, 15530 | FADQAF | 2015 |
| 6 |
1-Amino-2,2-dinitroethaniminium perchlorate |
To add a comment on this structure please contact us |
T.T.Vo, J.M.Shreeve, J.Mater.Chem.A, 2015, 3, 8756 | FULLOP | 2015 |
| 6 |
(2,2'-(octane-1,8-diylbis((nitrilo)methylylidene))bis(5-methoxyphenolato))-platinum |
To add a comment on this structure please contact us |
N.Komiya, M.Okada, Ryo Inoue, S.Kawamorita, T.Naota, Polyhedron, 2015, 98, 75 | HUJZOD | 2015 |
| 6 |
5-azido-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0$4,13!.0$8,13!]hexadecan-10-one |
To add a comment on this structure please contact us |
Xiaofei Zhang, Haodong Yang, Pingping Tang, Org.Lett., 2015, 17, 5828 | JABDUO | 2015 |
| 6 |
1-Benzyl 2-methyl 5-bromo-3-hydroxyindoline-1,2-dicarboxylate |
To add a comment on this structure please contact us |
Koji Kubota, K.Hayama, H.Iwamoto, Hajime Ito, Angew.Chem.,Int.Ed., 2015, 54, 8809 | JUNVEV | 2015 |
| 6 |
1-Chloro-1-methoxy-3-(4-nitrophenyl)urea |
To add a comment on this structure please contact us |
V.G.Shtamburg, R.G.Kostyanovsky, A.V.Tsygankov, V.V.Shtamburg, O.V.Shishkin, R.I.Zubatyuk, A.V.Mazepa, S.V.Kravchenko, Izv.Akad.Nauk SSSR,Ser.Khim.(Russ.)(Russ.Chem.Bull.), 2015, 62 | JUXJIX | 2015 |
| 6 |
1-phenylpropan-2-aminium chloride |
To add a comment on this structure please contact us |
L.Dennany, A.R.Kennedy, B.Walker, Acta Crystallogr.,Sect.C:Cryst.Struct.Chem., 2015, 71, 844 | KURHUC | 2015 |
| 6 |
2-((3-chlorophenyl)amino)benzoic acid |
To add a comment on this structure please contact us |
V.Lopez-Mejias, A.J.Matzger, Cryst.Growth Des., 2015, 15, 3955 | KUTMAP02 | 2015 |
| 6 |
2,3-Difluoro-7,12-bis((tri-isopropylsilyl)ethynyl)-6,13-dihydrobenzo[g]quinoxalino[2,3-b]quinoxaline |
To add a comment on this structure please contact us |
F.Paulus, B.D.Lindner, H.Rei, F.Rominger, A.Leineweber, Yana Vaynzof, Henning Sirringhaus, U.H.F.Bunz, J.Mater.Chem.C, 2015, 3, 1604 | LOYHEO01 | 2015 |
| 6 |
bis(2,2':6',2''-terpyridine)-copper bis(tetraphenylborate) |
Three determinations - see LUYROO01 and LUYROO02 |
A.Meyer, G.Schnakenburg, R.Glaum, O.Schiemann, Inorg.Chem., 2015, 54, 8456 | LUYROO | 2015 |
| 6 |
4-Hydroxy-5-nitrophenyl-2-(pyren-1-yl)-1,3-thiazole |
To add a comment on this structure please contact us |
A.Wrona-Piotrowicz, D.Plazuk, J.Zakrzewski, R.Metivier, K.Nakatani, A.Makal, Dyes Pigm., 2015, 121, 290 | MUKWIA | 2015 |
| 6 |
(2S,5S)-5-t-butyl-2-(hydroxymethyl)-1,3-oxathiane 3,3-dioxide |
To add a comment on this structure please contact us |
Daniel Weingand, C.Kiefer, J.Podlech, Tetrahedron, 2015, 71, 1261 | NULBIH | 2015 |
| 6 |
5,13,17-trimethyl-7-oxa-8-thia-9-azapentacyclo[15.2.1.0$1,14!.0$4,13!.0$5,10!]icosan-18-one 8,8-dioxide |
To add a comment on this structure please contact us |
S.M.Paradine, J.R.Griffin, Jinpeng Zhao, A.L.Petronico, S.M.Miller, M.Christina White, Nature Chemistry, 2015, 7, 987 | OKIVOV | 2015 |
| 6 |
N-(9H-Carbazol-9-yl)-2-(5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)acetamide |
To add a comment on this structure please contact us |
K.I.Kuchkova, A.N.Arycu, E.S.Sekara, A.N.Barba, P.F.Vlad, F.Z.Makaev, E.Melnik, V.Kh.Kravtsov, Khim.Prir.Soedin(Russ.)(Chem.Nat.Compd.), 2015, 684 | PUVTUX | 2015 |
| 6 |
dimethyl 2-(4-bromophenyl)-4-vinyl-1,4,5,7-tetrahydro-6H-indole-6,6-dicarboxylate |
To add a comment on this structure please contact us |
Chun-Xiang Zhuo, Qiang Cheng, Wen-Bo Liu, Qiang Zhao, Shu-Li You, Angew.Chem.,Int.Ed., 2015, 54, 8475 | QUCXOD | 2015 |
| 6 |
1-(4-t-butylbenzyl)pyridinium bis(maleonitriledithiolato)-nickel |
Two other determinations QUKSA03 and QUKSA04 |
Wei-Hua Ning, Lu Zhai, Jian-Lan Liu, Xiao-Ming Ren, K.Ichihashi, S.Nishihara, K.Inoue, J.Mater.Chem.C, 2015, 3, 7906 | QUKSAS | 2015 |
| 6 |
N-(2,5-Dimethyl-1H-pyrrol-1-yl)isonicotinamide |
To add a comment on this structure please contact us |
B.Jeragh, M.S.Ali, A.A.El-Asmy, Spectrochim.Acta,Part A, 2015, 150, 504 | QULQIZ | 2015 |
| 6 |
4,6-O-Benzylidene-alpha-D-galactosyl azide |
Two polymorphs with Z' = 6 and 1 (see ROZRAB01). There are 5 determinations of the Z'=6 structure. Dialcohol with a hydrogen bonded chain structure. |
B.P.Krishnan, K.M.Sureshan, J.Am.Chem.Soc., 2015, 137, 1692 | ROZRAB | 2015 |
| 6 |
bis((S)-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalene triiodide |
To add a comment on this structure please contact us |
L.Martin, Songjie Yang, A.C.Brooks, P.N.Horton, L.Male, O.Moulfi, L.Harmand, P.Day, W.Clegg, R.W.Harrington, J.D.Wallis, CrystEngComm, 2015, 17, 7354 | SUPROM | 2015 |
| 6 |
4'-iodobiphenyl-4-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
To add a comment on this structure please contact us |
K.Ackermann, A.Giannoulis, D.B.Cordes, A.M.Z.Slawin, B.E.Bode, Chem.Commun., 2015, 51, 5257 | WORFIU | 2015 |
| 6 |
1,8-Dihydroxy-9,10-anthraquinone acetic acid solvate |
To add a comment on this structure please contact us |
D.Cheuk, D.Khamar, P.McArdle, A.C.Rasmuson, J.Chem.Eng.Data, 2015, 60, 2110 | XABSAX | 2015 |
| 6 |
1-(3-ethynylphenyl)-3-hexylurea |
To add a comment on this structure please contact us |
O.V.Kulikov, G.T.McCandless, D.A.Siriwardane, Y.V.Sevryugina, B.M.Novak, Tetrahedron Lett., 2015, 56, 6309 | XUYTIW | 2015 |
| 6 |
biphenyl-4-yl(diphenyl)methanol |
To add a comment on this structure please contact us |
Ingo Knepper, W.Seichter, K.Skobridis, V.Theodorou, E.Weber, CrystEngComm, 2015, 17, 6355 | YUHGOX02 | 2015 |
| 6 |
4,4'-sulfonyldianiline |
Zhi-Xiang Ji, Adv.Mater.Res., 2014, 848, 195 | DAPSUO17 | 2014 | |
| 6 |
1-(1-Benzofuran-2-yl)-1H-imidazole |
To add a comment on this structure please contact us |
M.Hedidi, G.Bentabed-Ababsa, A.Derdour, T.Roisnel, V.Dorcet, F.Chevallier, L.Picot, V.Thiery, Florence Mongin, Bioorg.Med.Chem., 2014, 22, 3498 | EFUMOJ | 2014 |
| 6 |
ethyl 1-((1-(3-ethoxy-3-oxoprop-1-en-1-yl)pyrrolidin-2-yl)(diphenyl)methyl)-1H-1,2,3-triazole-4-carboxylate |
To add a comment on this structure please contact us |
V.S.Sadu, H.N.Roy, P.Arigala, In-Taek Hwang, Kee-In Lee, Bull.Korean Chem.Soc., 2014, 35, 1605 | GUMDAV | 2014 |
| 6 |
tetrakis(guanidinium) 1,2,4,5-tetrakis(4-sulfonatophenyl)benzene 1,4-dioxane solvate hydrate |
To add a comment on this structure please contact us |
Wenchang Xiao, Chunhua Hu, M.D.Ward, J.Am.Chem.Soc., 2014, 136, 14200 | GUSZIF | 2014 |
| 6 |
1-(3-(4-chlorophenyl)prop-2-en-1-yl)-4-phenyl-1H-1,2,3-triazole |
To add a comment on this structure please contact us |
Huoji Chen, Wanfei Yang, Wanqing Wu, Huanfeng Jiang, Org.Biomol.Chem., 2014, 12, 3340 | HOGKAR | 2014 |
| 6 |
Bromo-tricarbonyl-(1-phenyl-3-(quinoxalin-2-yl)-2,3-dihydro-1H-imidazol-2-ylidene)-rhenium |
To add a comment on this structure please contact us |
J.G.Vaughan, B.L.Reid, P.J.Wright, S.Ramchandani, B.W.Skelton, P.Raiteri, S.Muzzioli, D.H.Brown, S.Stagni, M.Massi, Inorg.Chem., 2014, 53, 3629 | JOCPEY | 2014 |
| 6 |
(2,2'-(5,7a-Dimethyloctahydro-1H-1,5,4-(propane[1,1,3]triyl)indene-6,7-diyl)bis(1-trihydridoborylpyridinium)) dichloromethane unknown solvate |
To add a comment on this structure please contact us |
Yung-Yu Chang, Tse-Lok Ho, Wen-Sheng Chung, J.Org.Chem., 2014, 79, 9970 | JOYVEA | 2014 |
| 6 |
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole |
To add a comment on this structure please contact us |
Yi-Shuo Zhu, Benyi Shi, Ran Fang, Xiaoxuan Wang, Huanwang Jing, Org.Biomol.Chem., 2014, 12, 5773 | KOFTEG | 2014 |
| 6 |
N-(4-Methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine |
To add a comment on this structure please contact us |
D.Suresh, P.S.Lopes, B.Ferreira, C.A.Figueira, C.S.B.Gomes, P.T.Gomes, R.E.Di Paolo, A.L.Macanita, M.Teresa Duarte, A.Charas, J.Morgado, M.J.Calhorda, Chem.-Eur.J., 2014, 20, 4126 | MIYCAA | 2014 |
| 6 |
tetrakis(Tetrahydrofuran)-lithium (4-t-butylanilinato)-(2,2',2''-ethane-1,1,1-triyltris(5-mesityl-1H-pyrrolato))-iron benzene solvate |
To add a comment on this structure please contact us |
G.T.Sazama, T.A.Betley, Inorg.Chem., 2014, 53, 269 | NIXNAL | 2014 |
| 6 |
potassium (bis(3,5-dimethyl-1H-pyrazol-1-yl)acetato)-dimethyl-platinum tetrahydrofuran solvate |
To add a comment on this structure please contact us |
J.D.Prantner, W.Kaminsky, K.I.Goldberg, Organometallics, 2014, 33, 3227 | NONDIF | 2014 |
| 6 |
bis(eta$5!-pentamethylcyclopentadienyl)-(eta$3!-but-1-en-3-yl)-titanium |
To add a comment on this structure please contact us |
J.Pinkas, R.Gyepes, I.Cisarova, J.Kubista, M.Horacek, K.Mach, Organometallics, 2014, 33, 3399 | NONVET | 2014 |
| 6 |
o-Toluic acid |
To add a comment on this structure please contact us |
F.R.Fronczek, CSD Communication(Private Communication), 2014 | OTOLIC04 | 2014 |
| 6 |
potassium hexafluorophosphate 1,1'-(oxydiethane-2,1-diyl)dipyrrolidin-2-one hemihydrate |
To add a comment on this structure please contact us |
A.Perrin, D.Myers, K.Fucke, O.M.Musa, J.W.Steed, Dalton Trans., 2014, 43, 3153 | PITPUF | 2014 |
| 6 |
5,5'-(propane-1,3-diylbis(oxy))bis(N,N'-bis(6-(butyrylamino)pyridin-2-yl)isophthalamide) chloroform toluene solvate hydrate |
To add a comment on this structure please contact us |
G.Schaeffer, Olaf Fuhr, D.Fenske, J.-M.Lehn, Chem.-Eur.J., 2014, 20, 179 | PIXRIZ | 2014 |
| 6 |
5-trifluoromethanesulfonyl-5,6:6,7:8,9;9,10-tetra-muH-nido-decaborane(13) |
To add a comment on this structure please contact us |
E.R.Berkeley, W.C.Ewing, P.J.Carroll, L.G.Sneddon, Inorg.Chem., 2014, 53, 5348 | POBQAA | 2014 |
| 6 |
1,3-bis(1-benzyl-4-phenylpyrrolidin-3-yl)urea |
To add a comment on this structure please contact us |
S.Kawazoe, K.Yoshida, Y.Shimazaki, T.Oriyama, Chem.Lett., 2014, 43, 1659 | POLPOX | 2014 |
| 6 |
4-methyl-7-phenyl-2-(prop-1-en-2-yl)-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol |
To add a comment on this structure please contact us |
A.J.Pigott, R.J.Lepage, J.M.White, M.J.Coster, Tetrahedron Lett., 2014, 55, 6864 | POSHUC | 2014 |
| 6 |
tris(N,N-Di-n-propyldithiocarbamato-S,S')-bismuth |
To add a comment on this structure please contact us |
A.V.Ivanov, I.V.Egorova, M.A.Ivanov, O.N.Antzutkin, R.S.Tsvykh, Dok.Phys.Chem., 2014, 454, 16 | QOPGEJ | 2014 |
| 6 |
difluoro-(1,5-bis(p-tolyl)-3-(4-methoxyphenyl)formazanato)-boron dichloromethane solvate |
To add a comment on this structure please contact us |
S.M.Barbon, J.T.Price, P.A.Reinkeluers, J.B.Gilroy, Inorg.Chem., 2014, 53, 10585 | QOWCEM | 2014 |
| 6 |
2-((t-butyl(dimethyl)silyl)oxy)-4a-hydroxy-1,1,3,6,9-pentamethyl-8-oxo-1,1a,1b,2,3,4,4a,5,8,9,10,10a-dodecahydrocyclopropa[3,4]cyclohepta[1,2-d]inden-4-yl 3,5-dinitrobenzoate |
To add a comment on this structure please contact us |
S.J.McKerrall, L.Jrgensen, C.A.Kuttruff, Felix Ungeheuer, P.S.Baran, J.Am.Chem.Soc., 2014, 136, 5799 | RIXREX | 2014 |
| 6 |
(19,19-dimethyl-3,10,17,21,26,27-hexaazapentacyclo[21.2.1.1$12,15!.0$2,11!.0$4,9!]heptacosa-1(25),2,4(9),5,7,10,12,14,16,21,23-undecaenato)-gold(iii) hexafluorophosphate acetonitrile solvate |
To add a comment on this structure please contact us |
K.J.Akerman, A.M.Fagenson, V.Cyril, M.Taylor, M.T.Muller, M.P.Akerman, O.Q.Munro, J.Am.Chem.Soc., 2014, 136, 5670 | RIZHIT | 2014 |
| 6 |
Ethyl 1-(2-(4-bromophenyl)-2-oxoethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate |
To add a comment on this structure please contact us |
V.B.Rybakov, E.V.Babaev, Chemistry of Heterocyclic Compounds, 2014, 50, 225 | SOCPIL | 2014 |
| 6 |
5-chloro-1-phenyl-9-oxatricyclo[6.3.1.0$2,7!]dodeca-2,4,6-trien-10-one |
To add a comment on this structure please contact us |
L.Souillart, N.Cramer, Angew.Chem.,Int.Ed., 2014, 53, 9640 | SOXCOZ | 2014 |
| 6 |
Tetra-n-butylammonium trichloro-(L-alaninato)-nitrosyl-ruthenium(iii) hydrate |
To add a comment on this structure please contact us |
A.Rathgeb, A.Bohm, M.S.Novak, A.Gavriluta, O.Domotor, J.B.Tommasino, E.A.Enyedy, S.Shova, S.Meier, M.A.Jakupec, D.Luneau, V.B.Arion, Cryst.Growth Des., 2014, 14, 2718 | WIYBIR | 2014 |
| 6 |
2,3,5,6-tetrachlorobenzoic acid |
To add a comment on this structure please contact us |
Sheng Feng, Yan-Jun Xue, Hao Liu, Z.Kristallogr.-New Cryst.Struct., 2014, 229, 482 | WUKMEW | 2014 |
| 6 |
4-(5-Isopropyl-2-methyl-2-vinyl-6,8-dioxabicyclo[3.2.1]oct-7-yl)phenyl 4-nitrobenzoate |
To add a comment on this structure please contact us |
Jingyun Ren, Yuan Liu, Liyan Song, Rongbiao Tong, Org.Lett., 2014, 16, 2986 | XODGAA | 2014 |
| 6 |
isonicotinamide 2,6-diisopropylphenol |
To add a comment on this structure please contact us |
S.C.McKellar, A.R.Kennedy, N.C.McCloy, E.McBride, A.J.Florence, Cryst.Growth Des., 2014, 14, 2422 | XOJYEC01 | 2014 |
| 6 |
4,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one |
To add a comment on this structure please contact us |
T.Takesue, M.Fujita, T.Sugimura, H.Akutsu, Org.Lett., 2014, 16, 4634 | XURDEV | 2014 |
| 6 |
1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulen-4-ol |
To add a comment on this structure please contact us |
J.Carreras, M.Livendahl, P.R.McGonigal, A.M.Echavarren, Angew.Chem.,Int.Ed., 2014, 53, 4896 | YIYPIH | 2014 |
| 6 |
1-(3,5-bis(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazole-2-thione |
To add a comment on this structure please contact us |
J.H.Palmer, G.Parkin, New J.Chem., 2014, 38, 4071 | ZOHKUE | 2014 |
| 6 |
(S)-3,3'-Dimethoxy-5,5'-spirobi[dibenzo[b,d]silole] |
To add a comment on this structure please contact us |
Y. Kuninobu, K. Yamauchi, N. Tamura, T. Seiki, K. Takai, Angew. Chem., Int. Ed., 2013, 52, 1520 | BEYKAT | 2013 |
| 6 |
4-Chloro-2-(1-(((4-methylphenyl)sulfonyl)amino)ethyl)phenyl (2-methoxyphenyl)phenylphosphinate acetone solvate |
To add a comment on this structure please contact us |
Z. S. Han, N. Goyal, M. A. Herbage, J. D. Sieber, Bo Qu, Yibo Xu, Zhibin, Li, J. T. Reeves, J. -N. Desrosiers, Shengli Ma, N. Grinberg, H. Lee, H. P. R. Mangunuru, Yongda Zhang, Dhileep K. , J. Am. Chem. Soc., 2013, 135, 2474 | CEWZEL | 2013 |
| 6 |
(((Phenylphosphinediyl)di-2,1-phenylene)bis(diethylphosphine))-bis(isothiocyanato)-nickel |
To add a comment on this structure please contact us |
W. J. Schreiter, A. R. Monteil, M. A. Peterson, G. T. McCandless, F. R. Fronczek, G. G. Stanley, Polyhedron, 2013, 58, 171 | CIGBAX | 2013 |
| 6 |
2-(4-Methylphenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
To add a comment on this structure please contact us |
T. C. Baddeley, R. A. Howie, G. M. de Lima, J. L. Wardell, S. M. S. V. Wardell, Z. Kristallogr., 2013, 228, 79 | DEZQUW | 2013 |
| 6 |
N-(4-Bromophenyl)-1-(hydroxy(phenyl)acetyl)prolinamide n-heptane ethyl acetate solvate hydrate |
To add a comment on this structure please contact us |
M. Belema, Van N. Nguyen, D. R. St. Laurent, O. D. Lopez, Yuping Qiu, A. C. Good, P. T. Nower, L. Valera, D. R. OBoyle II, Jin-Hua Sun, Mengping Liu, R. A. Fridell, J. A. Lemm, Min Gao, J. O. Knipe, N. A. Meanwel, Bioorg. Med. Chem. Lett., 2013, 23, 4428 | FIHGIO | 2013 |
| 6 |
7-Bromo-6-phenyl-2,3-dihydro-4H-furo[3,2-c]pyran-4-one |
To add a comment on this structure please contact us |
Enxiang Wei, Bing Liu, Shaoxia Lin, Baozhong Zhao, Fushun Liang, Org. Biomol. Chem., 2013, 41, 7212 | GIRROQ | 2013 |
| 6 |
4a-Fluoro-8,8-diphenyl-5,6,7,8-tetrahydronaphthalen-2(4aH)-one |
To add a comment on this structure please contact us |
R. J. Phipps, F. Dean Toste, J. Am. Chem. Soc., 2013, 135, 1268 | IFIXAY | 2013 |
| 6 |
1,3-Dibenzyltetrahydro-6H,10H-pyrrolo[2',1':2,3]pyrimido[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione |
To add a comment on this structure please contact us |
J. Alsarraf, F. Robert, H. Cramail, Y. Landais, Polym. Chem., 2013, 4, 904 | LEMWOR | 2013 |
| 6 |
N,N'-Dicyclohexylacetamidine |
To add a comment on this structure please contact us. |
M. Krasnopolski, R. W. Seidel, R. Goddard, J. Breidung, M. V. Winter, A. Devi, R. A. Fischer, J. Mol. Struct., 2013, 1031, 239 | PEDWEC | 2013 |
| 6 |
(N-Phenyl-2-(selanyl)nicotinamidato)-(N-phenyl-2-(selanyl)nicotinamidato)-(triphenylphosphine)-palladium |
To add a comment on this structure please contact us |
R. S. Chuahan, C. P. Prabhu, P. P. Phandis, G. Kedarnath, J. A. Golen, A. L. Rheingold, V. K. Jain, J. Organomet. Chem., 2013, 723, 163 | PEHPEZ | 2013 |
| 6 |
bis(2-(2,6-diisopropylphenyl)-6-isopropyl-3,3,9-trimethyl-2-azaspiro[4.5]dec-1-ylidene)-di-gold |
To add a comment on this structure please contact us |
D. S. Weinberger, M. Melaimi, C. E. Moore, A. L. Rheingold, G. Frenking, P. Jerabek, G. Bertrand, Angew. Chem., Int. Ed., 2013, 52, 8964 | PEZVOH | 2013 |
| 6 |
(N,N-bis(2-(Amino)ethyl)ethane-1,2-diamine)-(3,4,5,6-tetrabromobenzene-1,2-diolato)-cobalt(iii) nitrate methanol solvate hydrate |
To add a comment on this structure please contact us |
A. Panja, RSC Advances, 2013, 3, 4954 | REYDEG | 2013 |
| 6 |
t-Butyl 4-(7,8-bis(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)-2-((t-butoxycarbonyl)amino)-3-methylbut-2-enoate |
To add a comment on this structure please contact us |
Stefan Koch, D. Schollmeyer, H. Lowe, H. Kunz, Chem. -Eur. J., 2013, 19, 7020 | SEYROF | 2013 |
| 6 |
2-(2-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-3,5-dimethylbisthieno[3,2-b:2',3'-d]thiophene |
To add a comment on this structure please contact us |
Hongke Wang, Hui Lin, Wei Xu, Daoben Zhu, Chem. -Eur. J., 2013, 19, 3366 | VIDWUC | 2013 |
| 6 |
(+)-1,2-Didehydrocrinan-11-yl 2,5-dibromobenzoate |
To add a comment on this structure please contact us |
N. Gao, Xinghua Ma, L. Petit, B. D. Schwartz, M. G. Banwell, A. C. Willis, I. A. Cade, A. D. Rae, Aust. J. Chem., 2013, 66, 30 | VIGCIZ | 2013 |
| 6 |
(-)-1,2-Didehydrocrinan-11-yl 2,5-dibromobenzoate |
To add a comment on this structure please contact us |
N. Gao, Xinghua Ma, L. Petit, B. D. Schwartz, M. G. Banwell, A. C. Willis, I. A. Cade, A. D. Rae, Aust. J. Chem., 2013, 66, 30 | VIGCOF | 2013 |
| 6 |
Diethyl (1,3-dioxo-2-phenyl-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl)phosphonate |
To add a comment on this structure please contact us |
E. Villemin, K. Robeyns, R. Robiette, M. -F. Herent, J. Marchand-Brynaert, Tetrahedron, 2013, 69, 1138 | XIFMOQ | 2013 |
| 6 |
(2R*,3R*,4S*,5S*)-4-Bromo-3-hydroxy-2-methoxy-3-methyl-5-phenyl-1,2-oxaphospholane 2-oxide |
To add a comment on this structure please contact us |
M. Hatano, T. Horibe, K. Ishihara, Angew. Chem., Int. Ed., 2013, 52, 4549 | XIGTOY | 2013 |
| 6 |
1,1,4,4-Tetraphenylbutane-1,2,3,4-tetrol |
To add a comment on this structure please contact us. |
B. Barton, M. R. Caira, C. W. McCleland, E. C. Hosten, Tetrahedron, 2013, 69, 8713 | YIPYIH | 2013 |
| 6 |
Methyl 1-benzyl-3-(((t-butyl(diphenyl)silyl)oxy)methyl)-5-(((3,5-dinitrobenzoyl)oxy)methyl)prolinate |
To add a comment on this structure please contact us |
C. A. D. Sousa, F. Rizzo-Aguiar, M. L. C. Vale, X. Garcia-Mera, O. Caamano, J. E. Rodriguez-Borges, Tetrahedron Lett., 2012, 53, 1029 | AZADUA | 2012 |
| 6 |
3,4-bis(trifluoromethyl)-1H-pyrazole |
To add a comment on this structure please contact us. |
I. I. Gerus, R. X. Mironetz, I. S. Kondratov, A. V. Bezdudny, Y. V. Dmytriv, O. V. Shishkin, V. S. Starova, O. A. Zaporozhets, A. A. Tolmachev, P. K. Mykhailiuk, J. Org. Chem., 2012, 77, 47 | DATTAV | 2012 |
| 6 |
2-Amino-4-(1,2-dihydroxyethyl)-3a,4,5,9a-tetrahydroimidazo[1,5-a][1,3]thiazolo[5,4-e]pyrimidine-6-carboxamide monohydrate |
To add a comment on this structure please contact us |
M. W. Powner, Shao-Liang Zheng, J. W. Szostak, J. Am. Chem. Soc., 2012, 134, 13889 | EDEFEA | 2012 |
| 6 |
2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid |
To add a comment on this structure please contact us |
V. Lopez-Mejias, J. W. Kampf, A. J. Matzger, J. Am. Chem. Soc., 2012, 134, 9872 | FPAMCA14 | 2012 |
| 6 |
10,12-bis(3-chloropropyl)-11H-phenanthro[9',10':6,7]indeno[1,2-a]triphenylen-11-one |
To add a comment on this structure please contact us |
Y. Sawada, S. Furumi, A. Takai, M. Takeuchi, K. Noguchi, K. Tanaka, J. Am. Chem. Soc., 2012, 134, 4080 | HASYUX | 2012 |
| 6 |
2-Fluoro-N-(pyridin-3-yl)benzamide |
To add a comment on this structure please contact us |
P. Mocilac, K. Donnelly, J. F. Gallagher, Acta Crystallogr., Sect. B: Struct. Sci., 2012, 68, 189 | HAXLAV | 2012 |
| 6 |
t-butyl((t-butylamino)(dimethylamino)phosphoryl)amine |
To add a comment on this structure please contact us |
M. Pourayoubi, A. Tarahhomi, F. K. Ahmadabad, K. Fejfarova, A. van der Lee, M. Dusek, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2012, 68, o164 | HAXQII | 2012 |
| 6 |
N-(Pyridin-2-yl)isonicotinamide succinic acid |
To add a comment on this structure please contact us. |
C. B. Aakeroy, S. V. Panikkattu, B. DeHaven, J. Desper, Cryst. Growth Des., 2012, 12, 2579 | KAYGUO | 2012 |
| 6 |
(9-Chloro-4H-chromeno[4,3-c][1,2]oxazol-3-yl)methanol |
To add a comment on this structure please contact us |
P. Rajalakshmi, N. Srinivasan, R. V. Krishnakumar, I. A. Razak, M. M. Rosli, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2012, 68, o288 | MEDMIT | 2012 |
| 6 |
(η5-Cyclopentadienyl)-(N,N'-bis(2,6-diisopropylphenyl)ethane-1,2-diiminato)-chromium |
To add a comment on this structure please contact us |
Wen Zhou, L. Chiang, B. O. Patrick, T. Storr, K. M. Smith, Dalton Trans., 2012, 41, 7920 | NAYSEN | 2012 |
| 6 |
tris(2-Methylbutyl) 4,4',4''-((2,4,6-trimethoxybenzene-1,3,5-triyl)triethyne-2,1-diyl)tribenzoate |
To add a comment on this structure please contact us |
G. Hennrich, B. Nieto-Ortega, B. Gomez-Lor, E. Gutierrez, L. de Vega, E. Cavero, F. J. Ramirez, J. T. L. Navarrete, J. Casado, Eur. J. Org. Chem., 2012, 1577 | QARNAA | 2012 |
| 6 |
(R)-N-(1-Isopropyl-3,3-bis(methoxycarbonyl)-5-phenylpyrrolidin-2-ylidene)propan-2-aminium bromide monohydrate |
To add a comment on this structure please contact us |
A. F. G. Goldberg, N. R. O'Connor, R. A. Craig II, B. M. Stoltz, Org. Lett., 2012, 14, 5314 | RENFAT | 2012 |
| 6 |
N-(4'-Methylbiphenyl-4-yl)acetamide |
To add a comment on this structure please contact us |
C. B. Baltus, N. J. Press, M. D. Antonijevic, G. J. Tizzard, S. J. Coles, J. Spencer, Tetrahedron, 2012, 68, 9272 | TEMBAQ | 2012 |
| 6 |
t-Butyl (2-(trifluoromethyl)cyclohexyl)carbamate |
To add a comment on this structure please contact us |
A. N. Alekseenko, K. Denis, O. Lukin, P. K. Mykhailiuk, O. V. Shishkin, Y. M. Pustovit, Synthesis, 2012, 44, 2739 | TEMHUQ | 2012 |
| 6 |
Chloro-(N,N'-((imino)diethane-2,1-diyl)bis(P,P-diisopropyl(phosphinous amide)))-nickel chloride |
To add a comment on this structure please contact us |
M. Sgro, G. Stephan, Dalton Trans., 2012, 41, 6791 | VEVDIL | 2012 |
| 6 |
(2-Iodo-3-(4-nitrophenyl)cyclopropyl)methanol |
To add a comment on this structure please contact us |
L. -P. B. Beaulieu, L. E. Zimmer, A. Gagnon, A. B. Charette, Chem. -Eur. J., 2012, 18, 14784 | YUKHIW01 | 2012 |
| 6 |
5,9-bis(2-Phenyl-1-naphthyl)dinaphtho[2,3-d:2',3'-f][1,3,2]dioxaphosphepin-7-ol 7-oxide |
To add a comment on this structure please contact us |
T. Honjo, R. J. Phipps, V. Rauniyar, F. D. Toste, Angew. Chem., Int. Ed., 2012, 51, 9684 | ZECPOO | 2012 |
| 6 |
tetrakis(Tetrahydrofuran)-lithium 4,4,8,8-tetramethyl-4H,8H-12c-boradibenzo[cd,mn]pyren-12c-ide |
To add a comment on this structure please contact us |
T. Kushida, Zhiguo Zhou, A. Wakamiya, S. Yamaguchi, Chem. Commun., 2012, 48, 10715 | ZEKTEQ | 2012 |
| 6 |
4-t-Butylphenol |
To add a comment on this structure please contact us |
A. D. Martin, K. J. Hartlieb, A. N. Sobolev, C. L. Raston, Cryst. Growth Des., 2011, 10, 5302 | INEFOX | 2011 |
| 6 |
4-Benzylphenol |
To add a comment on this structure please contact us |
A. D. Martin, K. J. Hartlieb, A. N. Sobolev, C. L. Raston, Cryst. Growth Des., 2011, 10, 5302 | INEGAK | 2011 |
| 6 |
2-nonanoylbenzo[1,2-b:3,4-b':5,6-d'']trithiophene |
To add a comment on this structure please contact us. |
C. B. Nielsen, J. M. Fraser, B. C. Schroeder, Junping Du, A. J. P. White, Weimin Zhang, I. McCulloch, Org. Lett., 2011, 13, 2414 | IVILIJ | 2011 |
| 6 |
(1-Methyl-1H-imidazole)-(1,4,7-trithionane)-copper(i) tetrafluoroborate |
To add a comment on this structure please contact us |
E. Wyer, G. Giuccardo, V. Leigh, H. Muller-Bunz, M. Albrecht, J. Organomet. Chem., 2011, 696, 2882 | IXOBUT | 2011 |
| 6 |
2,2,2',2',2'',2''-Hexamethyl-4,4':5',4''-ter-1,3-dioxolan-5-one |
To add a comment on this structure please contact us |
A. T. Ung, S. G. Pyne, G. R. Jeoffreys, B. W. Skelton, A. H. White, Monatsh. Chem., 2011, 142, 297 | LEQFIW01 | 2011 |
| 6 |
Ethyl 3-amino-2-hydroxy-3-oxo-2-phenylpropanoate |
To add a comment on this structure please contact us |
S. Takechi, N. Kumagai, M. Shibasaki, Tetrahedron Lett., 2011, 52, 2140 | ORODAB | 2011 |
| 6 |
(μ4-(Triboriran-1-ylboranyl)selanyl)-(μ3-selenido)-bis(η5-pentamethylcyclopentadienyl)-pentacarbonyl-di-iron-di-molybdenum benzophenone solvate |
To add a comment on this structure please contact us |
K. Geetharani, S. K. Bose, S. Sahoo, B. Varghese, S. M. Mobin, S. Ghosh, Inorg. Chem., 2011, 50, 5824 | OZUMIG | 2011 |
| 6 |
2-((4,5-Dihydroxy-2-((16-hydroxy-24-(hydroxymethyl)-20,24-epoxydammaran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
To add a comment on this structure please contact us |
Wenbing Ding, Fanli Zeng, Liangxiong Xu, Yunyun Chen, Yifei Wang, Xiaoyi Wei, J. Nat. Prod., 2011, 74, 1868 | RAKQOL | 2011 |
| 6 |
4-amino-6-bromo-1-((2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
To add a comment on this structure please contact us |
Seung-Ju Cho, Young-Jong Kim, Young-Joon Surh, B. M. Kim, Seung-Ki Lee, J. Biol. Chem., 2011, 286, 19662 | SEVKUB | 2011 |
| 6 |
Dimethylammonium bis((4-fluorophenyl)sulfonyl)azanide |
To add a comment on this structure please contact us |
C. Wolper, A. Rodriguez-Gimeno, K. C. Iborra, I. Dix, M. Freytag, P. G. Jones, A. Blaschette, Z. Naturforsch., B: Chem. Sci., 2011, 66, 1161 | TAMZIS | 2011 |
| 6 |
(S,E)-ethyl 4-((S)-2-(t-butoxycarbonylamino)propanamido)-5-methylhex-2-enoate |
To add a comment on this structure please contact us |
S. M. Mali, A. Bandyopadhyay, S. V. Jadhav, M. G. Kumar, H. N. Gopi, Org. Biomol. Chem., 2011, 9, 6566 | UYIGIT | 2011 |
| 6 |
hemikis(1R,2S,5R,6S,8R)-1,2-dimethyl-5-phenyl-4-thiatricyclo-[4.4.0.02,8]decan-6-ol 4,4-dioxide hemikis(4,7a-dimethyl-3-phenylhexahydro-4,7-methanocyclopenta[c]thiopyran-4a(1H)-ol 2,2-dioxide) |
To add a comment on this structure please contact us |
F. W. Lewis, T. C. McCabe, D. H. Grayson, Tetrahedron, 2011, 67, 7517 | UYOPAA | 2011 |
| 6 |
(2R,5S)-[1,1'-bi(cyclohexan)]-6-ene-2,5-diol |
To add a comment on this structure please contact us |
Kai Hong, J. P. Morken, J. Org. Chem., 2011, 76, 9102 | VALPOP | 2011 |
| 6 |
Efavirenz |
To add a comment on this structure please contact us |
S. Mahapatra, T. S. Thakur, S. Joseph, S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 3191 | AJEYAQ03 | 2010 |
| 6 |
(-)-(3S)-(η4-(1S)-methyl 1-hydroxy-2-oxocyclohexa-3,5-dienecarboxylato)-tricarbonyl-iron(0) |
To add a comment on this structure please contact us |
M. A. Khan, M. F. Mahon, A. J. W. Stewart, S. E. Lewis, Organometallics, 2010, 29, 199 | ERUPEN | 2010 |
| 6 |
1-Ammonio-8-methyl-3,10,16-triaza-6,13,19-triazoniabicyclo(6.6.6)icosane tetrachloride hydrate |
To add a comment on this structure please contact us |
B. Dittrich, J. M. Harrowfield, G. A. Koutsantonis, G. L. Nealon, B. W. Skelton, Dalton Trans., 2010, 39, 3433 | HUMCAU01 | 2010 |
| 6 |
Ethyl 3-(4-bromophenyl)-2-(4-chlorophenyl)-1,2-dicyanocyclopropanecarboxylate |
To add a comment on this structure please contact us |
Xu-Guang Liu, Yin Wei, Min Shi, Eur. J. Org. Chem., 2010, 1977 | KUXBUB | 2010 |
| 6 |
(2,6-Di-t-butyl-4-methylphenolato)-(1,2-bis(dimethylamino)ethane)-lithium |
To add a comment on this structure please contact us |
D. M. Cousins, M. G. Davidson, D. Garcia-Vivo, M. F. Mahon, Dalton Trans., 2010, 39, 8203 | LACRIS | 2010 |
| 6 |
phenyl acetylene |
To add a comment on this structure please contact us |
T. S. Thakur, R. Sathishkumar, A. G. Dikundwar, T. N. G. Row, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4246 | NIMRIK08 | 2010 |
| 6 |
3,5-Dihydroxybenzoic acid dimethylsulfoxide solvate hemihydrate |
To add a comment on this structure please contact us |
S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4184 | OKEJOE | 2010 |
| 6 |
3,5-Dihydroxybenzoic acid acetone solvate hydrate |
To add a comment on this structure please contact us |
S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4184 | OKEKEV | 2010 |
| 6 |
3,5-Dihydroxybenzoic acid dipropyl oxalate solvate hydrate |
To add a comment on this structure please contact us |
S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4184 | OKELEW | 2010 |
| 6 |
3,5-Dihydroxybenzoic acid diethyl malonate solvate hydrate |
To add a comment on this structure please contact us |
S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4184 | OKELIA | 2010 |
| 6 |
3,5-Dihydroxybenzoic acid diethyl succinate solvate monohydrate |
To add a comment on this structure please contact us |
S. Varughese, G. R. Desiraju, Cryst. Growth Des., 2010, 10, 4184 | OKELOG | 2010 |
| 6 |
pentakis((1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene) (1S,7R)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene |
To add a comment on this structure please contact us |
G. P. A. Yap, R. M. Claramunt, C. Lopez, M. A. Garcia, C. Perez-Medina, I. Alkorta, J. Elguero, J. Mol. Struct., 2010, 965, 74 | PUQSEA | 2010 |
| 6 |
(R)-4'-Chloro-3'-hydroxy-1-methyl-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one |
To add a comment on this structure please contact us |
N. V. Hanhan, A. H. Sahin, T. W. Chang, J. C. Fettinger, A. K. Franz, Angew. Chem., Int. Ed., 2010, 49, 744 | SUKVEA | 2010 |
| 6 |
4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one 1-phenylpropan-1-one clathrate |
To add a comment on this structure please contact us |
S. Balasubramanian, R. Krishnan, K. Harihara, J. Chem. Cryst., 2010, 40, 461 | TUXBUK | 2010 |
| 6 |
3-Benzyltetrahydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione |
To add a comment on this structure please contact us |
M. Budesinsky, I. Cisarova, J. Podlaha, F. Borremans, J. C. Martins, M. Waroquier, E. Pauwel, Acta Crystallogr., Sect. B: Struct. Sci., 2010, 66, 662 | UKOBEC | 2010 |
| 6 |
(4-Hydroxyphenyl)boronic acid 4,4'-bipyridine |
To add a comment on this structure please contact us |
M. Talwelkar, V. R. Pedireddi, Tetrahedron Lett., 2010, 51, 6901 | USAKEF | 2010 |
| 6 |
4-(2,4,6-Trifluorophenyl)-1,2,3,5-dithiadiazolyl radical |
To add a comment on this structure please contact us |
C. S. Clarke, D. A. Haynes, J. N. B. Smith, A. S. Batsanov, J. A. K. Howard, S. I. Pascu, J. M. Rawson, CrystEngComm, 2010, 12, 172 | VUQHAR | 2010 |
| 6 |
bis(μ3-t-butoxido)-(μ2-t-butoxido)-tri-t-butyl-tri-zinc |
To add a comment on this structure please contact us |
J. Lewinski, M. Dutkiewicz, M. Lesiuk, W. Sliwinski, K. Zelga, I. Justyniak, J. Lipkowski, Angew. Chem., Int. Ed., 2010, 49, 8266 | WAGBOX | 2010 |
| 6 |
10-Hydroxytricyclo[4.2.1.12,5]deca-3,7-dien-9-one |
To add a comment on this structure please contact us |
M. Etzkorn, S. D. Smeltz-Zapata, T. B. Meyers, Xin Yu, M. Gerken, Tetrahedron Lett., 2010, 51, 6075 | WAKWEM | 2010 |
| 6 |
2-(2-Allyl-3-cyano-2-methylcyclopentylidene)-N-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)hydrazinecarboxamide |
To add a comment on this structure please contact us |
C. Baumgartner, Sandy Ma, Qi Liu, B. M. Stoltz, Org. Biomol. Chem., 2010, 8, 2915 | WEXMOD | 2010 |
| 6 |
bis(2,2'-Bipyridine-N,N')-(2-(4-(benzothiazolyl)phenyl)imidazo(4,5-f)(1,10)phenanthroline-N,N')-ruthenium(ii) perchlorate toluene acetonitrile solvate hydrate |
Asymmetric unit also contains a large number of solvent molecules. |
Bin Sun, Jing-Xin Guan, Li Xu, Bo-Le Yu, Long Jiang, Jun-Feng Kou, Li Wang, Xi-Dong Ding, Hui Chao, Liang-Nian Ji, Inorg. Chem., 2009, 48, 4637 | AHISOA | 2009 |
| 6 |
1-acetyl-4-(dimethylamino)pyridinium chloride dichloromethane solvate |
To add a comment on this structure please contact us |
V. Lutz, J. Glatthaar, C. Wurtele, M. Serafin, H. Hausmann, P. R. Schreiner, Chem. -Eur. J., 2009, 15, 8548 | ANUBUH | 2009 |
| 6 |
2-((2,6-Dimethylphenyl)amino)nicotinic acid |
To add a comment on this structure please contact us |
Sihui Long, Tonglei Li, Cryst. Growth Des., 2009, 9, 4993 | CUNKUS01 | 2009 |
| 6 |
(3,5-Diaminobenzoato)-triphenyl-tin(iv) |
Molecules stack in two columns each containing three independent molecules. |
D. Tzimopoulos, M. Gdaniec, T. Bakas, P. D. Akrivos, J. Coord. Chem., 2009, 62, 1218 | DOZCIF01 | 2009 |
| 6 |
Cucurbit[8]uril 2,2,6,6-tetramethyl-4-methoxypiperidin-1-oxyl clathrate unknown solvate hemihydrate |
The host-guest couples are arranged in supramolecular equilateral triangles to form layers with water molecules in between. |
D. Bardelang, K. Banaszak, H. Karoui, A. Rockenbauer, M. Waite, K. Udachin, J. A. Ripmeester, C. I. Ratcliffe, O. Ouari, P. Tordo, J. Am. Chem. Soc., 2009, 131, 5402 | FUQNOV | 2009 |
| 6 |
1-((Diethylsulfamoyl)methyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl 5-methyl-4-oxo-2-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylate hydrate |
There is extensive hydrogen bonding in the structure. |
M. J. Alves, C. Costa, M. M. Duraes, Tetrahedron: Asymm., 2009, 20, 1378 | GUHWAI | 2009 |
| 6 |
1-Ammonio-8-methyl-3,10,16-triaza-6,13,19-triazoniabicyclo(6.6.6)icosane tetrachloride hydrate |
To add a comment on this structure please contact us |
I. J. Clark, A. Crispini, P. S. Donnelly, L. M. Engelhardt, J. M. Harrowfield, Seong-Hoon Jeong, Yang Kim, G. A. Koutsantonis, Young Hoon Lee, N. A. Lengkeek, M. Mocerino, G. L. Nealon, M. I. Ogden, Yu Chul Park, C. Pettinari, L. Polanzan, E. Rukmini, A. M. Sargeson, B. W. Skelton, A. N. Sobolev, P. Thuery, A. H. White, Aust. J. Chem., 2009, 62, 1246 | HUMCAU | 2009 |
| 6 |
(Acetato-O)-(2,6-bis((di-t-butylphosphino)methyl)pyridine-N,P,P')-nickel(ii) trifluoromethanesulfonate |
Undergoes a fully reversible solid-solid phase transition at a discrete temperature in the range 210-230K from a Z' = 1 structure (at room temperature) |
M. Lutz, J. I. van der Vlugt, D. Vogt, A. L. Spek, Polyhedron, 2009, 28, 2341 | KUCXAI01 | 2009 |
| 6 |
Sodium N-acetyl-D-alanyl-D-alanine vancomycin 2-(4-morpholino)ethylsulfonate polyethylene glycol decahydrate |
Authors note: Large structure in which the limits of our programs have been exceeded. Four vancomycin molecules, four tripeptide mimetic moieties, one small PEG solvent molecule and all but 10 of the water molecules have been deleted; a full data set is available in the deposited cif. The exact crystal constitution is not specified, but involves 6 pair-based vancomycin molecules and 6 peptides, with the apparent inclusion of two PEG solvent molecules (n=2 and n=7), one Na ion, one sulfonate ion and 167 water molecules |
P. J. Loll, A. Derhovanessian, M. V. Shapovalov, J. Kaplan, Lin Yang, P. H. Axelsen, J. Mol. Biol., 2009, 385, 200 | LOKFOH | 2009 |
| 6 |
(1R,2S,4S)-7-((4-Methylphenyl)sulfonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid |
To add a comment on this structure please contact us |
A. Armstrong, Y. Bhonoah, A. J. P. White, J. Org. Chem., 2009, 74, 5041 | LUFMAB | 2009 |
| 6 |
1,4-Diazoniabicyclo[2.2.2]octane bis(benzoate) |
To add a comment on this structure please contact us. |
S. Skovsgaard, A. D. Bond, CrystEngComm, 2009, 11, 444 | NUKVOF | 2009 |
| 6 |
Ethyl 3-(3-((diphenylphosphorothioyl)amino)-5-methyl-2,3-dihydro-1-benzofuran-2-yl)acrylate |
Platon suggests possible lattice halving. The individual molecules form independent dimers, four between symmetry related species and two between unique species. |
Xiangtai Meng, You Huang, Ruyu Chen, Org. Lett., 2009, 11, 137 | POPRAO | 2009 |
| 6 |
bis(12-crown-4)-germanium(ii) bis(trifluoromethanesulfonate) |
No 3D coordinates |
P. A. Rupar, R. Bandypadhyay, B. F. T. Cooper, M. R. Stinchcombe, P. J. Ragogna, C. L. B. Macdonald, K. M. Baines, Angew. Chem., Int. Ed., 2009, 48, 5155 | RUPMUL | 2009 |
| 6 |
2-((1-Chloro-3-methylbutan-2-yl)carbamoyl)anilinium chloride hemihydrate |
To add a comment on this structure please contact us |
Mei Luo, Jie Sun, Hao Yin, Jiegou Huaxue(Chin. J. Struct. Chem. ), 2009, 28, 1286 | SUJGOU | 2009 |
| 6 |
(4-(4-(4-(hexyloxy)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-5-hexoxyphenyl)-chloro-((methylsulfinyl)methane)-platinum(ii) |
To add a comment on this structure please contact us |
A. Santoro, A. C. Whitwood, J. A. G. Williams, V. N. Kozhevnikov, D. W. Bruce, Chem. Mater., 2009, 21, 3871 | TUKWEC | 2009 |
| 6 |
((η5-1-Rhoda-2,3-dicarbadodecaborane)-(μ2-η5,η5-pentamethyldiborolyl))-(η5-cyclopentadienyl)-cobalt acetone solvate |
To add a comment on this structure please contact us |
D. V. Muratov, A. S. Romanov, P. V. Petrovsky, Z. A. Starikova, A. R. Kudinov, Izv. Akad. Nauk SSSR, Ser. Khim. (Russ. )(Russ. Chem. Bull. ), 2009, 944 | TUZFAW | 2009 |
| 6 |
(S)-1-(1-(4-Bromophenyl)-2,2,2-trifluoroethyl)-5,5-dimethylpyrazolidin-3-one |
To add a comment on this structure please contact us |
H. Kawai, A. Kusuda, S. Nakamura, M. Shiro, N. Shibata, Angew. Chem., Int. Ed., 2009, 48, 6324 | UHIPAD | 2009 |
| 6 |
1-(4-Hydroxyphenyl)-2-phenyl-1,2-dicarba-closo-dodecaborane n-hexane solvate |
The six independent molecules are arranged in two hydrogen bonded hexamers with three independent molecules per hexamer. The Z' behaviour of this and related compounds is attributed to the diphenylcarborane moiety, which is awkward for packing yet has some conformational flexibility brought about by rotation of the phenyl groups. |
M. A. Fox, C. Nervi, A. Crivello, A. S. Batsanov, J. A. K. Howard, K. Wade, P. J. Low, J. Solid State Electrochem., 2009, 13, 1483 | UHONAH | 2009 |
| 6 |
2-(4-Hydroxybenzylidene)hydrazinecarbothioamide |
To add a comment on this structure please contact us |
Ning-Ning Ji, Zhi-Qiang Shi, Guangpu Shiyanshi(Chin. )(Chinese J. Spectroscopy Lab. ), 2009, 26, 1156 | VAGCIR | 2009 |
| 6 |
(2-Iodo-3-(4-nitrophenyl)cyclopropyl)methanol |
To add a comment on this structure please contact us |
L. -P. B. Beaulieu, L. E. Zimmer, A. B. Charette, Chem. -Eur. J., 2009, 15, 11829 | YUKHIW | 2009 |
| 6 |
(S,S)-Diiodo-bis(1-phenylethylamine)-platinum(ii) |
There are conformational differences between the six independent molecules |
B. Calmuschi-Cula, U. Englert, Organometallics, 2008, 27, 3124 | CODYAW | 2008 |
| 6 |
(S,R,R,R)-10-Cyclohexyl-11a,11b-dihydro-8aH-fluorantheno[2',3':3,4]cyclobuta[1,2-c]pyrrole-9,11(8bH,10H)-dione |
Absolute configuration of compound determined by X-ray anomalous scattering |
Y. Nishioka, T. Yamaguchi, M. Kawano, M. Fujita, J. Am. Chem. Soc., 2008, 130, 8160 | COJJER | 2008 |
| 6 |
Sodium ethyl-(2-(carboxylato)phenylthiolato)-mercury |
Coordination around the sodium ions differs in the independent molecules. Hg···O distances also differ between molecules. |
J. G. Melnick, K. Yurkerwich, D. Buccella, W. Sattler, G. Parkin, Inorg. Chem., 2008, 47, 6421 | DOFNES | 2008 |
| 6 |
5,6-Diethyl-10b,11a-dihydroxy-4,7-bis(phenylsulfonyl)dodecahydro-5,11b:6,10a-diepoxydi-indeno(4,5-b:5',4'-d)furan-3,8(3aH,6H)-dione chloroform solvate |
Two hydrogen bonded chains are formed. Some molecules extensively disordered. |
E. S. Krygowski, K. Murphy-Benenato, M. D. Shair, Angew. Chem., Int. Ed., 2008, 47, 1680 | GIXRAH | 2008 |
| 6 |
trans-4-Hydroxy-2-(2'-phenylcyclopent-3'-enyl)-2H-phthalazin-1-one ethyl acetate n-hexane solvate |
The six molecules in the asymmetric unit form an O-H···O bonded hexamer. The solvent molecules are disordered. |
F. Menard, M. Lautens, Angew. Chem., Int. Ed., 2008, 47, 2085 | GIYNAE | 2008 |
| 6 |
(+)-Methyl (6aS,11aR)-6a,7,8,9,10,11,11a,12-octahydro-6H-cyclohepta(b)acridine-11a-carboxylate |
No real strong interactions in structure, Platon checks suggest possible lattice centering or halving. |
C. L. Diedrich, D. Haase, W. Saak, J. Christoffers, Eur. J. Org. Chem., 2008, 1811 | NIZVUO | 2008 |
| 6 |
(Perchlorato-O)-((bis(2-pyridylmethyl)-8-(benzyloxy)quinoline-2-methyl)amine)-zinc perchlorate |
Platon suggests possible halving or centering of lattice |
Lin Xue, Huan-Huan Wang, Xiao-Jun Wang, Hua Jiang, Inorg. Chem., 2008, 47, 4310 | RIZRIC | 2008 |
| 6 |
Chloro-(2,3,4,5,6-pentaphenyl-1-(2,2':6',2''-terpyridin-4'-yl)benzene-N,N',N'')-platinum(ii) chloride methanol solvate |
Chloride ions and solvent could not be located. |
Pingwu Du, J. Schneider, W. W. Brennessel, R. Eisenberg, Inorg. Chem., 2008, 47, 69 | SIYPEW | 2008 |
| 6 |
Sintokamide A |
To add a comment on this structure please contact us. |
M. D. Sadar, D. E. Williams, N. R. Mawji, B. O. Patrick, T. Wikanta, E. Chasanah, H. E. Irianto, R. Van Soest, R. J. Andersen, Org. Lett., 2008, 10, 4947 | TORHAK | 2008 |
| 6 |
(-)-(1R)-2-Chloro-1,7-dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo(c)chromene-4,6-dione |
For stereoisomer (also Z' = 6) see YODRAL. Extensive O-H···O hydrogen bonding present in structure. |
K. Tatsuta, A. Furuyama, T. Yano, Y. Suzuki, T. Ogura, S. Hosokawa, Tetrahedron Lett., 2008, 49, 4036 | YIZTOR | 2008 |
| 6 |
(+)-(1S)-2-Chloro-1,7-dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo(c)chromene-4,6-dione |
For stereoisomer (also Z' = 6) see YIZTOR. Extensive O-H···O hydrogen bonding present in structure. |
K. Tatsuta, A. Furuyama, T. Yano, Y. Suzuki, T. Ogura, S. Hosokawa, Tetrahedron Lett., 2008, 49, 4036 | YODRAL | 2008 |
| 6 |
Dichloro-(trans-myrtanyl)-tin |
Only four of the six independent molecules show additional Sn···Cl contacts |
J. Beckmann, A. Duthie, M. Grassmann, A. Semisch, Organometallics, 2008, 27, 1495 | YODSOA | 2008 |
| 6 |
2,4,6-Trinitro-1-bromobenzene |
α polymorph. For other polymorphs see ZZZVXQ02, ZZZVXQ05 and ZZZVXQ06 |
D. A. Parrish, J. R. Deschamps, R. D. Gilardi, R. J. Butcher, Cryst. Growth Des., 2008, 8, 57 | ZZZVXQ03 | 2008 |
| 6 |
tris(2,4-pentanedionato-O,O')-chromium(iii) |
δ-polymorph |
L. S. von Chrzanowski, M. Lutz, A. L. Spek, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2007, 63, m377 | ACACCR08 | 2007 |
| 6 |
2-(Dimethylphosphino)imidazole |
To add a comment on this structure please contact us. |
Zilu Chen, H. W. Schmalle, T. Fox, O. Blacque, H. Berke, J. Organomet. Chem., 2007, 692, 4875 | BIVQED | 2007 |
| 6 |
2-Cyano-3-(dimethylamino)-3-hydroxy-N-(pentafluorophenyl)acrylamide |
Asymmetric unit consists of three hydrogen bonded dimers |
A. Basheer, H. Yamataka, S. C. Ammal, Z. Rappoport, J. Org. Chem., 2007, 72, 5297 | DIJGAF | 2007 |
| 6 |
7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole |
Two independent trimers are formed |
F. Doro, P. Bailey, S. Parsons, Private Communication, 2007 | LABHEB01 | 2007 |
| 6 |
(1S,7R,8S)-(7-Hydroxybicyclo(5.2.0)nonan-8-yl)methyl 4-bromophenylcarbamate hydrate |
Molecules are held together by a variety of hydrogen bonds between the independent molecules and the included water |
E. Canales, E. J. Corey, J. Am. Chem. Soc., 2007, 129, 12686 | LITNIM | 2007 |
| 6 |
(1R)-1-((1R,2S,7S,8R,9S)-3,3,7-Trimethyltricyclo(5.4.0.02,9)undec-8-yl)prop-2-en-1-ol |
To add a comment on this structure please contact us. |
I. Bichlmaier, M. Kurkela, T. Joshi, A. Siiskonen, T. Ruffer, H. Lang, M. Finel, J. Yli-Kauhaluoma, ChemMedChem, 2007, 2, 881 | RIQLUZ | 2007 |
| 6 |
syn-bis(?2-1,4-bis(Mercaptomethyl)naphthalene-S,S')-dichloro-di-arsenic(iii) chloroform solvate |
To add a comment on this structure please contact us. |
V. M. Cangelosi, A. C. Sather, L. N. Zakharov, O. B. Berryman, D. W. Johnson, Inorg. Chem., 2007, 46, 9278 | TIRYEZ | 2007 |
| 6 |
trans-Dibromo-dioxo-bis(dimethylformamide)-molybdenum(vi) |
No strong intermolecular interactions in structure |
J. E. Drake, M. B. Hursthouse, M. E. Light, R. Kumar, R. Ratnani, J. Chem. Cryst., 2007, 37, 421 | UDOJED | 2007 |
| 6 |
2,2',7,7'-Tetramethoxy-9,9'-spiro-9-silabifluorene |
The asymmetric unit consists of six cocrystallized ordered conformers |
I. L. Karle, R. Butcher, M. A. Wolak, S. H. Lee, Z. H. Kafafi, J. Chem. Cryst., 2007, 37, 171 | VEZPIA | 2007 |
| 6 |
2,8,14,20-Tetra-n-pentyl-4,5,6,10,11,12,16,17,18,22,23,24-dodecahydroxycalix(4)arene acetonitrile solvate |
No 3D coordinates available in CSD. Data very weak, correct space group is P-1 but structure could only be solved in P1. |
S. J. Dalgarno, J. Antesberger, R. M. McKinlay, J. L. Atwood, Chem. -Eur. J., 2007, 13, 8248 | XIZNUQ | 2007 |
| 6 |
o-(Acetamido)benzamide chloroform solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGBAS | 2006 |
| 6 |
o-(Acetamido)benzamide 1-propanol solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGBEW | 2006 |
| 6 |
o-(Acetamido)benzamide 1-butanol solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGBIA | 2006 |
| 6 |
o-(Acetamido)benzamide 2-butanol solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGBOG | 2006 |
| 6 |
o-(Acetamido)benzamide 1,2-dichloroethane solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGCAT | 2006 |
| 6 |
o-(Acetamido)benzamide 1,4-dioxane solvate |
To add a comment on this structure please contact us |
S. A. Barnett, D. A. Tocher, M. Vickers, CrystEngComm, 2006, 8, 313 | CEGCEX | 2006 |
| 6 |
(R)-N-((1E)-2-Methoxy-1-methyl-4-(triethylsilyl)-2-((trimethylsilyl)ethynyl)but-3-yn-1-ylidene)-4-methylbenzenesulfonohydrazide |
Silyl groups are extensively disordered |
V. Convertino, P. Manini, W. B. Schweizer, F. Diederich, Org. Biomol. Chem., 2006, 4, 1206 | GEFCEA | 2006 |
| 6 |
RP-2'-((1-(2-(1-Hydroxy-1-methylethyl)ferrocenyl)-(E)-methylidene)amino)-1,1'-binaphthalen-2-ol diethyl ether solvate |
Chiral. Hydrogen bonded chains formed. |
H. Wolfle, H. Kopacka, K. Wurst, K. -H. Ongania, H. -H. Gortz, P. Preishuber-Pflugl, B. Bildstein, J. Organomet. Chem., 2006, 691, 1197 | LEGTOH | 2006 |
| 6 |
Trimesic acid acetic acid solvate |
Asymmetric unit contains 6 trimesic and 3 acetic acids. The structure contains a number of different homochiral and heterochiral acid dimers |
P. Vishweshwar, D. A. Beauchamp, M. J. Zaworotko, Cryst. Growth Des., 2006, 6, 2429 | LERSAD | 2006 |
| 6 |
(-)-(S ,Rc)-1-(p-Tolylsulfinyl)-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)ferrocene |
Internal hydrogen bond. Molecules stacked down c-axis |
V. Albrow, A. J. Blake, A. Chapron, C. Wilson, S. Woodward, Inorg. Chim. Acta, 2006, 359, 1731 | MEFWEA | 2006 |
| 6 |
(R)-8-Chloro-2-(3,5-difluorobenzyl)-2,3-dihydro-3-methyl-1,2,5-benzothiadiazepin-4(5H)-one-1,1-dioxide |
Three amide hydrogen bonded dimers formed. For Z' = 2 S isomer see VAZTIA. |
R. D. Santo, R. Costi, M. Artico, R. Ragno, A. Lavecchia, E. Novellino, E. Gavuzzo, F. La Torre, R. Cirilli, R. Cancio, G. Maga, ChemMedChem, 2006, 1, 82 | PECTAT | 2006 |
| 6 |
bis(N-5-Bromosalicylideneamino-2-benzylethanolato)-manganese(iv) dimethylformamide solvate |
Some independent molecules are extensively disordered |
C. P. Pradeep, P. S. Zacharias, S. K. Das, J. Chem. Sci. (Bangalore, India), 2006, 118, 311 | PEMZEN | 2006 |
| 6 |
catena-((μ2-4,4'-oxybis(benzoato))-(2,2'-bipyridine)-cobalt(ii)) |
Structure described as polymeric but possible problems with data |
Chao Qin, Xinlong Wang, Enbo Wang, Yanfei Qi, Hua Jin, Song Chang, J. Coord. Chem., 2006, 59, 1225 | QIBGAJ01 | 2006 |
| 6 |
1-(2,4,6-Tri-t-butylphenyl)-3-(cyclopropyl)-1-phosphallene |
No 3D coordinates |
S. Ito, M. Freytag, M. Yoshifuji, Dalton Trans., 2006, 710 | SEDKOC | 2006 |
| 6 |
(thiocyanato)-bis(4-trimethylammoniobenzenethiolato)-mercury(ii) hexafluorophosphate |
Structure held together by long range Hg···S interactions |
Jin-Xiang Chen, Wen-Hua Zhang, Xiao-Yan Tang, Zhi-Gang Ren, Yong Zhang, Jian-Ping Lang, Inorg. Chem., 2006, 45, 2568 | UCEYAD | 2006 |
| 6 |
Uroleuconaphin B1 p-bromobenzoate ethyl acetate solvate |
Only 4 independent molecules refined due to large number of non-hydrogen atoms |
M. Horikawa, T. Hashimoto, Y. Asakawa, S. Takaoka, M. Tanaka, H. Kaku, T. Nishii, K. Yamaguchi, H. Masu, M. Kawase, S. Suzuki, M. Sato, T. Tsunoda, Tetrahedron, 2006, 62, 9072 | XELKAB | 2006 |
| 6 |
(Z)-2-Bromo-3-iodopropenoic acid |
Four carboxylic acid dimers formed, two between molecules on general positions and two between symmetry related species |
A. Lough, A. B. McKague, Synth. Commun., 2006, 36, 3387 | YEZDEN | 2006 |
| 6 |
p-(n-Hexyloxy)benzoic acid |
4 carboxylic acid dimers formed |
A. N. Kochetov, L. G. Kuz'mina, A. V. Churakov, N. S. Rukk, S. M. Pestov, Kristallografiya(Russ. )(Crystallogr. Rep. ), 2006, 51, 59 | ZZZZCA03 | 2006 |
| 6 |
t-Butoxycarbonyl-isoleucyl-dehydro-alanine methyl ester |
See FEQVUT01 for Z' = 4 polymorph |
S. Dey, R. Vijayaraghavan, V. K. Goel, S. Kumar, P. Kumar, T. P. Singh, J. Mol. Struct., 2005, 737, 109 | FEQVUT | 2005 |
| 6 |
(2-Phenylethynyl)-trimethylphosphine-gold(i) dichloromethane solvate |
The six independent molecules are arranged into two trimers, one of which forms an extended helical chain |
O. Schuster, Ruei-Yang Liau, A. Schier, H. Schmidbaur, Inorg. Chim. Acta, 2005, 358, 1429 | FIRWEJ | 2005 |
| 6 |
1-(5,5-Dibenzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)-3-isobutylurea |
Structure forms three hydrogen bonded dimers |
P. K. Baruah, R. Gonnade, U. D. Phalgune, G. J. Sanjayan, J. Org. Chem., 2005, 70, 6461 | LAXJUQ | 2005 |
| 6 |
1,5-Dimethyl-1H-pyrazole-4-carbonitrile |
Platon suggests possible lattice halving. Two tetramers are formed, one containing four independent molecules, the other has two symmetry related pairs |
P. Cernuchova, Giang Vo-Thanh, V. Milata, A. Loupy, S. Jantova, M. Theiszova, Tetrahedron, 2005, 61, 5379 | NANKUJ | 2005 |
| 6 |
4-Nitroaniline (S)-10-camphorsulfonic acid hemihydrate |
Two dimensional hydrogen bonded network formed |
M. J. Prakash, T. P. Radhakrishnan, Cryst. Growth Des., 2005, 5, 1831 | NAVHEY | 2005 |
| 6 |
1-(4-Chlorophenacyl)-4-methyl-1,5,6,7-tetrahydro-2H-cyclopenta(b)pyridin-2-one |
To add a comment on this structure please contact us |
D. V. Al'bov, V. B. Rybakov, E. V. Babaev, L. A. Aslanov, Kristallografiya(Russ. )(Crystallogr. Rep. ), 2005, 50, 660 | SEBZUV | 2005 |
| 6 |
1-((E)-2-(1-Hydroxycyclohexyl)-1-ethenyl)-1-cyclohexanol |
Chain connected by O-H···O interactions |
C. Gomez, B. Macia, M. Yus, Tetrahedron, 2005, 61, 9325 | TARNEG | 2005 |
| 6 |
tri-t-butylgallium |
Molecules held together by Ga-H interactions |
A. Kuczkowski, S. Schulz, M. Nieger, Appl. Organomet. Chem., 2004, 18, 244 | BESLUH | 2004 |
| 6 |
3',5'-Dichloro-2'-hydroxyacetophenone |
To add a comment on this structure please contact us |
A. Filarowski, A. Koll, A. Kochel, J. Kalenik, P. E. Hansen, J. Mol. Struct., 2004, 700, 67 | DACGIY | 2004 |
| 6 |
(η4-Cyclo-octa-1,5-diene)-(1,3-dimethylimidazolin-2-ylidene)-(isocyanato-N)-rhodium |
To add a comment on this structure please contact us |
M. V. Baker, S. K. Brayshaw, B. W. Skelton, A. H. White, Inorg. Chim. Acta, 2004, 357, 2841 | DADNOM | 2004 |
| 6 |
1,5,9,13-Tetramesityl-3,5,11,13-tetra-aza-1,9-diazoniacyclohexadeca-1,3,9,11-tetraene bis(tetrafluoroborate) unknown solvate |
Molecules heavily disordered |
A. L. Paulsen, R. Madsen, Heterocycles, 2004, 63, 2051 | FANDEE | 2004 |
| 6 |
tetrakis(Tetrahydrofuran)-lithium tetrakis(μ3-t-butylimido)-tetrahydrofuran-tritelluroxo-lithium-tri-tin hexane solvate |
Disorder observed in cubane and THF species |
T. Chivers, D. J. Eisler, Angew. Chem., Int. Ed., 2004, 43, 6686 | FERVII | 2004 |
| 6 |
tetrakis((μ3-Methylsulfido)-tricarbonyl-manganese) |
No 3D coordinates |
Qi Zhang, Hong-Yuan Hao, A. J. Deeming, Wuji Huaxue Xuebao(Chin. )(Chin. J. Inorg. Chem. ), 2004, 20, 1241 | GAHVUH | 2004 |
| 6 |
(5R)-1-((4-Benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)carbonyl)-5-(iodomethyl)-3,3-dimethylpyrrolidin-2-one |
To add a comment on this structure please contact us |
Meihua Shen, Chaozhong Li, J. Org. Chem., 2004, 69, 7906 | HAKHIL | 2004 |
| 6 |
catena-(tetrakis(μ2-Imidazolato)-(2,2'-bipyridine)-di-iron(ii)) |
No 3D coordinates |
B. O. Patrick, W. M. Reiff, V. Sanchez, A. Storr, R. C. Thompson, Inorg. Chem., 2004, 43, 2330 | ICOTUQ01 | 2004 |
| 6 |
2-(Diethylamino)-1,3-bis(trimethylsilyl)-1,3,2-diazabora(3)ferrocenophane |
No significant intermolecular interactions |
B. Wrackmeyer, E. V. Klimkina, H. E. Maisel, W. Milius, M. Herberhold, Inorg. Chim. Acta, 2004, 357, 1703 | IVUVIE | 2004 |
| 6 |
Dibromo-bis(1-methylimidazoline-2(3H)-thionato)-cadmium(ii) |
Twinned. Independent molecules related to each other by a number of pseudo-symmetry operations |
N. A. Bell, W. Clegg, S. J. Coles, C. P. Constable, R. W. Harrington, M. B. Hursthouse, M. E. Light, E. S. Raper, C. Sammon, M. R. Walker, Inorg. Chim. Acta, 2004, 357, 2091 | IWACIS | 2004 |
| 6 |
(1R,4R)-1,2-bis(Hydroxy(phenyl)methyl)ferrocene hexane benzene solvate |
Two cyclic trimers held together with O-H···O hydrogen bonds. |
S. Fukuzawa, D. Wachi, T. Suzuki, S. Itoh, J. Org. Chem., 2004, 69, 4991 | XACWEE | 2004 |
| 6 |
C-Methylcalix(4)resorcinane 1,3,5-tris(4-pyridyl)-2,4,6-triazine bis(nitrobenzene) clathrate monohydrate |
Two independent hydrogen bonded layers |
Bao-Qing Ma, P. Coppens, Cryst. Growth Des., 2004, 4, 211 | YABXUV | 2004 |
| 6 |
Dibromo-((bis-N-(2,6-bis(1-phenylethyl)-4-methylphenyl)imino)acenaphthalene)-nickel tetrahydrofuran solvate |
Resolved chiral species |
A. E. Cherian, E. B. Lobkovsky, G. W. Coates, Chem. Commun., 2003, 2566 | ALAREK | 2003 |
| 6 |
cis-(Acetonitrile)-methyl-(2-(2,6-di-isopropylphenyliminomethyl)pyrrolide)-platinum |
To add a comment on this structure please contact us |
C. N. Iverson, C. A. G. Carter, R. T. Baker, J. D. Scollard, J. A. Labinger, J. E. Bercaw, J. Am. Chem. Soc., 2003, 125, 12674 | EMEXUP | 2003 |
| 6 |
3,18-Dioxo-octacyclo[10.3.2.15,11.02,9.02,11.04,8.06,10.013,15]octadecane |
To add a comment on this structure please contact us |
G. Mehta, C. Le Droumaguet, K. Islam, A. Anoop, E. D. Jemmis, Tetrahedron Lett., 2003, 44, 3109 | GACFEW | 2003 |
| 6 |
2,5-Diphenyl-1,3,4-oxadiazole |
Z' = 1 polymorph also known (NAXDIZ & NAXDIZ01-NAXDIZ04) |
O. Franco, G. Reck, I. Orgzall, B. W. Schulz, B. Schulz, J. Mol. Struct., 2003, 649, 219 | NAXDIZ04 | 2003 |
| 6 |
4,5-bis((Benzylamino)carbonyl)-1H-imidazole |
High-temperature polymorph. For low temperature Z' = 2 polymorph see HUKHUQ01 |
P. W. Baures, J. R. Rush, A. V. Wiznycia, J. Desper, B. A. Helfrich, A. M. Beatty, Cryst. Growth Des., 2002, 2, 653 | HUKHUQ | 2002 |
| 6 |
(μ2-bis(Trimethylsilyl)phosphine)-tricarbonyl-dimethyl-(4-(dimethylamino)pyridyl)-aluminium-nickel(0) |
To add a comment on this structure please contact us |
F. Thomas, S. Schulz, M. Nieger, K. Nattinen, Chem. -Eur. J., 2002, 8, 1915 | MISLIJ | 2002 |
| 6 |
(13,18-Dimethyl-1,4,7,10,13,18-hexaazabicyclo(8.5.5)icosane)-lithium tetraphenylborate |
To add a comment on this structure please contact us |
M. Vlassa, Ruy Huang, J. E. Jackson, J. L. Dye, Tetrahedron, 2002, 58, 5849 | MOZZEG | 2002 |
| 6 |
3-Phenyl-1H-indazole |
Z' = 3 polymorph known (UHENUQ01) |
M. A. Garcia, C. Lopez, R. M. Claramunt, A. Kenz, M. Pierrot, J. Elguero, Helv. Chim. Acta, 2002, 85, 2763 | UHENUQ | 2002 |
| 6 |
(+)-1S,2S-2-Hydroxy-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one oxime |
Two-dimensional chain formed through O-H···O and O-H···N hydrogen bonds. For additional determination see WUHNOC01 |
S. W. Markowicz, K. Pokrzeptowicz, J. Karolak-Wojciechowska, R. Czylkowski, J. Omelanczuk, A. Sobczak, Tetrahedron: Asymm., 2002, 13, 1981 | WUHNOC | 2002 |
| 6 |
2-Hydroxy-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one oxime |
Two-dimensional chain formed through O-H···O and O-H···N hydrogen bonds. For additional determination see WUHNOC |
L. -X. Zhang, M. -L. Hu, A. -J. Zhang, G. -Q. Xiang, Z. Kristallogr. -New Cryst. Struct., 2002, 217, 494 | WUHNOC01 | 2002 |
| 6 |
(R)-3-O-(alpha-(p-t-butylphenyl)benzylsulfonyl)-(1,2:5,6-di-O-isopropylidene)-alpha-D-allofuranose |
To add a comment on this structure please contact us |
D. Enders, N. Vignola, O. M. Berner, J. W. Bats, Angew. Chem., Int. Ed., 2002, 41, 109 | XIGCIZ | 2002 |
| 6 |
Hexacarbonyl-((20,21-eta,20,21-eta)-(17alpha)-17-hydroxypregn-4-en-20-yn-3-one)-di-cobalt |
Two different conformations present, four of one and two of another |
D. Osella, F. Galeotti, G. Cavigiolio, C. Nervi, K. I. Hardcastle, A. Vessieres, G. Jaouen, Helv. Chim. Acta, 2002, 85, 2918 | XUKSIF | 2002 |
| 6 |
4,4'-Di-t-butyl-2,2'-biphenyl |
For Z' = 1 polymorphs see ZETSEW and ZETSEW01 |
C. Nather, I. Jess, Z. Havlas, M. Bolte, N. Nagel, S. Nick, Solid State Sciences, 2002, 4, 859 | ZETSEW02 | 2002 |
| 6 |
(2-(2,6-Di-isopropylphenylamino)-4-(2,6-di-isopropylphenylimino)pent-2-ene-N,N')-lithium hexane solvate |
The six independent molecules form a dodecamer over an inversion centre. Dodecamer chains are linked through further Li···C interactions |
M. Stender, R. J. Wright, B. E. Eichler, J. Prust, M. M. Olmstead, H. W. Roesky, P. P. Power, J. Chem. Soc., Dalton Trans., 2001, 3465 | CACKUN | 2001 |
| 6 |
bis(μ2-Dicyclohexylphosphido)-bis(μ2-hydrido)-octacarbonyl-tri-ruthenium |
To add a comment on this structure please contact us |
G. Suss-Fink, I. Godefroy, M. Faure, A. Neels, H. Stoeckli-Evans, J. Cluster Sci., 2001, 12, 35 | IBIJUY | 2001 |
| 6 |
Benzyl ethyl 4-methyl-4'-hexyl-2,2'-bi-imidazole-5,5'-dicarboxylate |
Self-assembles into helices |
W. E. Allen, C. J. Fowler, V. M. Lynch, J. L. Sessler, Chem. -Eur. J., 2001, 7, 721 | QENYIR | 2001 |
| 6 |
2,6-Di-isopropyl-N-((dihydroxy(methyl)silyl)-(trimethylsilyl))aniline |
Molecules form hexameric hydrogen bonded clusters. Me analogue (QIVNAK) has Z' = 2. |
V. Chandrasekhar, S. Nagendran, R. Boomishankar, R. J. Butcher, Inorg. Chem., 2001, 40, 940 | QIVNEO | 2001 |
| 6 |
Methyl (2R,5R)-5-((S)-methoxycarbonyl(4-bromophenyl)methyl)pyrrolidinium-2-carboxylate chloride |
To add a comment on this structure please contact us. |
H. M. L. Davies, C. Venkataramani, Org. Lett., 2001, 3, 1773 | QUFYIZ | 2001 |
| 6 |
1,1,2,2-Tetra-amino-1,2-bis(bis(trimethylsilyl)methyl)disilane |
To add a comment on this structure please contact us. |
C.Ackerhans, P.Bottcher, P.Muller, H.W.Roesky, I.Uson, H.-G.Schmidt, M.Noltemeyer, Inorg.Chem. , 2001, 40, 3766 | QUJSAP | 2001 |
| 6 |
Chloro-(1-ethyl-2-(2-hydroxynaphthyl-alpha-azo)imidazole-N,N',O)-palladium dichloromethane solvate |
Three dimeric pairs |
J. Dinda, D. Das, P. K. Santra, C. Sinha, L. R. Falvello, J. Organomet. Chem., 2001, 629, 28 | QUMRUL | 2001 |
| 6 |
(E)-Cyclohexanone oxime |
For re-refinement and re-interpretation as a Z'=3 structure see ZZZVP004 |
P. R. Olivato, D. S. Ribeiro, J. Zukerman-Schpector, G. Bombieri, Acta Crystallogr., Sect. B: Struct. Sci., 2001, 57, 705 | ZZZVPO01 | 2001 |
| 6 |
(η4-3,5-di-t-butyl-1-(bis(trimethylsilyl)methyl)-1,2,4-triphosphole)-dicarbonyl-cobalt |
No 3D coordinates |
P. B. Hitchcock, J. F. Nixon, N. Sakarya, J. Organomet. Chem., 2000, 601, 335 | EBIRIQ | 2000 |
| 6 |
2,6-Di-t-butylnaphthalene |
Z' = 0.5 polymorph also reported (KOKQUW) |
A. L. Rheingold, J. S. Figueroa, C. Dybowski, P. A. Beckmann, Chem. Commun., 2000, 651 | KOKQUW01 | 2000 |
| 6 |
bis(N,N-Diethyldithiocarbamato)-gold(iii) tetrachloro-nitrido-technetate(vi) |
TD>The asymmetric unit consists of four half molecules and four whole molecules. Te···S contacts hold the structure together |
U. Abram, Z. Anorg. Allg. Chem., 2000, 626, 619 | LILRED | 2000 |
| 6 |
4-n-Nonylbenzoic acid |
See SEQPOT01 for Z' = 3 redetermination (R. E. Marsh, Acta Cryst., Sect. B., 2005, 61, 359) |
N. K. Lokanath, M. A. Sridhar, D. Revannasiddaiah, J. S. Prasad, Liquid Crystals, 2000, 27, 767 | SEQPOT | 2000 |
| 6 |
N-((R)-1-phenylethyl)-(1R,3R)-7,7-dichlorodispiro(2.0.2.1)heptane-1-carboxamide |
Two crystallographically independent chains formed with three independent molecules in each |
K. Miyazawa, D. S. Yufit, J. A. K. Howard, A. de Meijere, Eur. J. Org. Chem., 2000, 4109 | WOSVEF | 2000 |
| 6 |
(1S,3S,4R,8S)-1,3,8,9-Tetrabromo-p-menthan-2-one |
Short Br···Br contacts |
G. Smith, B. N. Venzke, R. C. Bott, R. M. Carman, C. H. L. Kennard, Aust. J. Chem., 2000, 53, 723 | WOXKOJ | 2000 |
| 6 |
2-(N-n-Hexylcarboxamide)-8-hydroxyquinoline |
Helical polymer formed with molecules connected by hydrogen bonds |
M. Albrecht, K. Witt, E. Wegelius, K. Rissanen, Tetrahedron, 2000, 56, 591 | WUJWUT | 2000 |
| 6 |
4,6-Dichloro-2-(methylthio)pyrimidine |
Chain of π-stacked molecules |
D. E. Lynch, I. McClenaghan, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2000, 56, e536 | XAXTUL | 2000 |
| 6 |
Dichloro-(tetramethyl-(η5-4-(1R,2S,5R-menthyl)-cyclopentadienyl)-(η5-3,5-di-isopropyl-cyclopentadienyl)disilane)-zirconium |
The six molecules are pseudosymmetrically related by approximate translations along 1 -1 1 |
D. Veghini, L. M. Henling, T. J. Burkhardt, J. E. Bercaw, J. Am. Chem. Soc., 1999, 121, 564 | DAHQEI | 1999 |
| 6 |
bis(2-Methoxycarbonyl-2-methylpropyl) 2,5-di-isopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex-3-enedioate |
VT work showed that the high T structure is very disordered. Cooling to 136K causes tripling of unit cell giving an ordered Z' = 6 structure with the 6 structures related by a number of pseudo-symmetry elements |
J. W. Bats, A. R. Nass, A. S. K. Hashmi, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1999, 55, 1183 | GOMFOD | 1999 |
| 6 |
mer-Trichloro-tris(n-propylamine)-molybdenum(iii) tetrahydrofuran solvate |
Some propyl arms are disordered. One molecule of THF is also present in the asymmetric unit. |
F. A. Cotton, E. V. Dikarev, S. Herrero, Inorg. Chem., 1999, 38, 2649 | GOSDOH | 1999 |
| 6 |
4-(1-Methyl-2,8-Dioxabicyclo(3.2.1)octan-5-oyl)-4-aza-5,5-dioxo-5-thia-10,10-dimethyltricyclo(5.2.1.03,7)decane |
To add a comment on this structure please contact us |
G. D. Fallon, E. D. Jones, P. Perlmutter, W. Selajaren, Tetrahedron Lett., 1999, 40, 7435 | KITQIN | 1999 |
| 6 |
Trichloro-(1,2-bis(trifluoromethyl)ethen-1,2-dithiolato)-(N,N'-bis(trimethylsilyl)aminoiminophosphorane-N,N')-titanium |
Phase change reported |
M. Witt, M. Noltemeyer, H. -G. Schmidt, T. Lubben, H. W. Roesky, J. Organomet. Chem., 1999, 591, 138 | KIVBOG | 1999 |
| 6 |
nido-2,4,6,12-tetrakis(Trimethylsilyl)-2,4,6,12-tetracarbadodecaborane |
No significant intermolecular interactions |
N. S. Hosmane, T. J. Colacot, Hongming Zhang, Jimin Yang, J. A. Maguire, Ying Wang, M. B. Ezhova, A. Franken, T. Demissie, Kai-Juan Lu, Dunming Zhu, J. L. C. Thomas, J. D. Collins, T. G. Gray, S. N. Hosmane, W. N. Lipscomb, Organometallics, 1998, 17, 5294 | HIYWUH | 1998 |
| 6 |
1,8-Di-iodonaphthalene |
Short I···I contacts |
H. Bock, M. Sievert, Z. Havlas, Chem. -Eur. J., 1998, 4, 677 | PIPQUA | 1998 |
| 6 |
Aspartyl-N-((2,2,5,5-tetramethylcyclopentyl)carbonyl)-(R)-1,1-diaminoethane hydrate |
Hydrogen bonded peptide chain formed |
M. Goodman, R. -H. Mattern, P. Gantzel, A. Santini, R. Iacovino, M. Saviano, E. Benedetti, J. Pept. Sci., 1998, 4, 229 | YAQBIB | 1998 |
| 6 |
Tetra-n-propylammonium ozonide |
To add a comment on this structure please contact us |
M. Jansen, H. Seyeda, Z. Kristallogr. -New Cryst. Struct., 1997, 212, 229 | GATPIA | 1997 |
| 6 |
3,4-Di-t-butyl-2,5-bis(tri-isopropylsilyl)thiophene |
No 3D coordinates |
J. Nakayama, T. Yu, Y. Sugihara, A. Ishii, S. Kumakura, Heterocycles, 1997, 45, 1267 | HOCBAC | 1997 |
| 6 |
(1S,RTe)-5-Chloro-10,10-dimethyl-5-phenyl-5λ4-tellura-4-oxatricyclo(5.2.1.03,7)decane |
To add a comment on this structure please contact us |
S. Takahashi, J. Zhang, S. Saito, T. Koizumi, Heterocycles, 1997, 46, 373 | NURGUC | 1997 |
| 6 |
(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo(3.2.1.13,7)nonane |
Three dimeric pairs |
G. Raabe, S. R. Hall, H. G. Thomas, U. Wellen, J. Simons, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1997, 53, 1107 | RESMUX | 1997 |
| 6 |
3-Nitropyrazole |
Two hydrogen bonded trimers |
C. Foces-Foces, A. L. Llamas-Saiz, M. Menendez, N. Jagerovic, J. Elguero, J. Phys. Org. Chem., 1997, 10, 637 | RIKNOO | 1997 |
| 6 |
1,1,3,3-Tetrafluoro-5,5-(2,2,3,3-tetrafluorotetramethylenedioxy)-cyclotriphosphazene |
Z' = 1 form also known (LEXVEP) |
Z. Wang, R. D. Willett, A. J. Elias, R. L. Kirchmeier, J. M. Shreeve, Acta Crystallogr., Sect. B: Struct. Sci., 1996, 52, 643 | LEXVEP01 | 1996 |
| 6 |
Chloro-(2-(2-pyridyl)phenyl)-tellurium(ii) |
Two alternative Te positions indicated. Three Te···Te dimers are formed. See JOZPIX for Br and REWPUE01 for I analogues |
T. A. Hamor, Hongli Chen, W. R. McWhinnie, S. L. W. McWhinnie, Z. Majeed, J. Organomet. Chem., 1996, 523, 53 | REWPEO | 1996 |
| 6 |
Iodo-(2-(2-pyridyl)phenyl)-tellurium(ii) |
See REWPEO for Cl and JOZPIX for Br analoguesSee also REWPUE for Z' = 1 analogue |
T. A. Hamor, Hongli Chen, W. R. McWhinnie, S. L. W. McWhinnie, Z. Majeed, J. Organomet. Chem., 1996, 523, 53 | REWPUE01 | 1996 |
| 6 |
7,7-Dimethoxydispiro(2.0.2.1)heptane |
To add a comment on this structure please contact us |
A. de Meijere, S. I. Kozhushkov, D. S. Yufit, R. Boese, T. Haumann, D. L. Pole, P. K. Sharma, J. Warkentin, Liebigs Ann., 1996, 601 | TEVXOH | 1996 |
| 6 |
1-(9-(10-Bromoanthracenyl))ethanediol |
To add a comment on this structure please contact us. |
E. J. Corey, M. C. Noe, J. Am. Chem. Soc., 1996, 118, 11038 | TEZYAY | 1996 |
| 6 |
1-Azoniapropellane tri-iodide |
To add a comment on this structure please contact us |
P. K. Bakshi, M. A. James, T. S. Cameron, O. Knop, Can. J. Chem., 1996, 74, 559 | TIWFAG | 1996 |
| 6 |
9-(2-Hydroxy-1-phenylethyl)fluorene |
Possibly a higher symmetry solution (Lehmler et al., Acta Cryst., Sect. B,, 2002, 58, 140) |
B. Rieger, G. Jany, M. Steimann, R. Fawzi, Z. Naturforsch., B: Chem. Sci., 1994, 49, 451 | WEYTAV | 1994 |
| 6 |
Oxazafurin hydrate |
Cyclic tetramer with two ends capped by a further two molecules |
B. M. Goldstein, Hong Li, W. H. Hallows, D. A. Langs, P. Franchetti, L. Cappellacci, M. Grifantini, J. Med. Chem., 1994, 37, 1684 | WICLEZ | 1994 |
| 6 |
(4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole |
Two independent trimers are formed |
A. L. Llamas-Saiz, C. Foces-Foces, I. Sobrados, J. Elguero, W. Meutermans, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1993, 49, 724 | LABHEB | 1993 |
| 6 |
R(-)-N-Methyl,N-((1R,2S)-1-(alpha-hydroxybenzyl)ethyl)amino(methyl)phenylphosphine borane |
To add a comment on this structure please contact us |
S. Juge, M. Stephan, R. Merdes, J. P. Genet, S. Halut-Desportes, Chem. Commun., 1993, 531 | WAGBAH | 1993 |
| 6 |
3,5-Dimethyl-1,2-tellurazole |
The six independent molecules form two trimers held together by Te···N interactions |
G. De Munno, F. Lucchesini, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1992, 48, 1437 | JOSVAO | 1992 |
| 6 |
Lithium acrylate methanol solvate |
To add a comment on this structure please contact us |
H. P. Beck, P. Trubenbach, Chem. Ber., 1992, 125, 331 | KORCUP | 1992 |
| 6 |
Di-t-butyl-(2,4,6-tri-t-butylphenoxide-O)-aluminium |
No significant intermolecular interactions |
M. A. Petrie, M. M. Olmstead, P. P. Power, J. Am. Chem. Soc., 1991, 113, 8704 | JOHTOP | 1991 |
| 6 |
Bromo-2-(2'-pyridyl)phenyl-tellurium(ii) |
Two alternative Te positions indicated. Three Te···Te dimers are formed. See REWPEO for Cl and REWPUE01 for I analogues |
M. R. Greaves, T. A. Hamor, B. J. Howlin, T. S. Lobana, S. A. Mbogo, W. R. McWhinnie, D. C. Povey, J. Organomet. Chem., 1991, 420, 327 | JOZPIX | 1991 |
| 6 |
Dihydroxy-bis(pentamethyl-cyclopentadienyl)-silicon |
Two cyclic tetramers formed, one over an inversion centre hence the arrangement is 4+2 |
S. S. Al-Juaid, C. Eaborn, P. B. Hitchcock, P. D. Lickiss, A. Mohrke, P. Jutzi, J. Organomet. Chem., 1990, 384, 33 | KICXEZ | 1990 |
| 6 |
Tetramethylammonium 1-dimethylamino-1-carba-undecahydro-closa-dodecaborate |
For Z' = 3 redetermination see VEHHAR01 (R. E. Marsh, Acta Cryst., Sect. B., 2002, 58, 893) |
C. Novak, V. Subrtova, V. Petricek, L. Hummel, J. Hasek, Collect. Czech. Chem. Commun., 1990, 55, 653 | VEHHAR | 1990 |
| 6 |
1,3-Dihydroxy-1,1,3,3-tetra-n-propyldisiloxane |
O-H···O hydrogen bonded chain formed |
A. P. Polishchuk, N. N. Makarova, M. Yu. Antipin, T. V. Timofeeva, M. A. Kravers, Yu. T. Struchkov, Kristallografiya(Russ. )(Crystallogr. Rep. ), 1990, 35, 446 | VIMPAI | 1990 |
| 6 |
Diaqua-(1,4,7,10,13-pentaoxacyclopentadecane-O,O',O'',O''',O'''')-zinc(ii) dinitrate |
Zinc 15-crown-5 structure |
F. Dejehet, R. Debuyst, Yun Yi Wei, J. P. Declercq, B. Tinant, J. Chim. Phys., 1987, 84, 107 | FETPEZ | 1987 |
| 6 |
3-t-Butylcyclohexane-1,2-diol |
Molecules are interconnected by O-H···O hydrogen bonds |
F. Brisse, F. Belanger-Gariepy, A. Lectard, J. -C. Richer, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 1987, 43, 895 | FILJIT | 1987 |
| 6 |
1-(4'-Cyanophenyl)-2-(4''-pentylcyclohexyl)ethane |
No 3D coordinates |
L. Walz, W. Haase, Mol. Cryst. Liq. Cryst. (Lett. ), 1986, 4, 53 | GOHZAE | 1986 |
| 6 |
alpha-1,3,5-Benzene-tricarboxylic acid bromine clathrate |
Isomorphous with acetone (DAZBUB), I2 (DAZCAI), hydroquinone (DAZCIQ) and resorcinol (DAZCEM) analogues |
F. H. Herbstein, M. Kapon, G. M. Reisner, Acta Crystallogr., Sect. B: Struct. Sci., 1985, 41, 348 | DAZBIP | 1985 |
| 6 |
alpha-1,3,5-Benzene-tricarboxylic acetone clathrate |
Isomorphous with Br2 (DAZBIP), I2 (DAZCAI), hydroquinone (DAZCIQ) and resorcinol (DAZCEM) analogues |
F. H. Herbstein, M. Kapon, G. M. Reisner, Acta Crystallogr., Sect. B: Struct. Sci., 1985, 41, 348 | DAZBUB | 1985 |
| 6 |
alpha-1,3,5-Benzene-tricarboxylic iodine clathrate |
Isomorphous with Br2 (DAZBIP), acetone (DAZBUB), hydroquinone (DAZCIQ) and resorcinol (DAZCEM) analogues |
F. H. Herbstein, M. Kapon, G. M. Reisner, Acta Crystallogr., Sect. B: Struct. Sci., 1985, 41, 348 | DAZCAI | 1985 |
| 6 |
(S)-(-)-alpha-(p-Bromophenyl)-ethylammonium 1-methoxyaziridine-2,2-dicarboxylic acid cis-ethyl ester |
No 3D coordinates |
V. F. Rudchenko, O. A. D'yachenko, A. B. Zolotoi, L. O. Atovmyan, I. I. Chervin, R. G. Kostyanovskii, Tetrahedron, 1982, 38, 961 | BETMIW | 1982 |
| 6 |
catena-((2-(3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)-6-carboxylato-tetrahydropyrido(3,4-d)imidazole-N,N',O,O')-copper(ii)) nonahydrate |
Polymeric species. Many problems with reported coordinates. |
H. M. Dawes, T. N. Waters, Chem. Commun., 1982, 1390 | BOGFIM | 1982 |
| 6 |
alpha-Hydroquinone sulfur dioxide |
For Z' = 3 reinterpretation see BOSVEK01 or R. E. Marsh, Acta Cryst. Section B., 2002, 58, 893. |
T. M. Polyanskaya, V. I. Andrianov, V. I. Alexeev, V. V. Bakakin, Yu. A. Dyadin, G. N. Chekhova, Dokl. Akad. Nauk SSSR(Russ. )(Proc. Nat. Acad. Sci. USSR), 1982, 266, 349 | BOSVEK | 1982 |
| 6 |
7H-Benzo(hi)chrysen-7-one |
No 3D coordinates |
S. Fujisawa, S. Sato, Y. Saito, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1981, 37, 2194 | BATCAA01 | 1981 |
| 6 |
9H-Cyclohepta(2,1-b:4,5-b')dithiophen-4-ylium perchlorate |
Stacks of anions with cations in between |
J. -E. Andersson, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1981, 37, 401 | DTTROP01 | 1981 |
| 6 |
3-Ethoxy-14-(2-quinolyl)-3-azabenzo(d)tricyclo(5.3.1.12,8)dodecan-13-ylidene-morpholinium bromide monohydrate |
No 3D coordinates |
I. Ueda, H. Noda, M. Hamana, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1977, 33, 2441 | YXABCZ01 | 1977 |
| 6 |
2,2,6,6-Tetramethyl-piperidin-4-one 1-oxyl |
No 3D coordinates |
D. Bordeaux, J. Lajzerowicz, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1974, 30, 790 | MPIPXY03 | 1974 |
| 6 |
m-Cresol |
Molecules linked by O-H···O hydrogen bonded chains. Each chain contains three unique cresol units |
C. Bois, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1973, 29, 1011 | MCRSOL | 1973 |
| 6 |
Poly(allylcyclopentane) |
Covalent polymer. Z' value refers to number of monomer repeats. |
V. Petraccone, B. Pirozzi, P. Corradini, Eur. Polym. J., 1972, 8, 107 | HIDDED | 1972 |
| 6 |
Trimesic acid |
Six TMA molecules (some symmetrically equivalent) lead to extended zig zag sheets with extensive interpenetration |
D. J. Duchamp, R. E. Marsh, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1969, 25, 5 | BTCOAC | 1969 |
| 6 |
5alpha-Cholestan-3-one |
No 3D coordinates |
B. Haner, D. A. Norton, Acta Crystallogr., 1966, 20, 930 | ZZZKCE | 1966 |
| 6 |
Copper(ii) thiocyanate dipyridine complex |
No 3D coordinates |
A. Negro, Atti Accad. Sci. Torino, 1966, 100, 635 | ZZZMYI | 1966 |
| 6 |
o-n-Propoxy-trans-cinnamic acid |
No 3D coordinates |
G. M. J. Schmidt, J. Chem. Soc., 1964, 2014 | ZZZNQY | 1964 |
| 6 |
Aluminium ethoxide |
No 3D coordinates |
Amma, J. Inorg. Nucl. Chem., 1963, 25, 779 | ZZZGIF | 1963 |
| 6 |
Gramicidin S hydrochloride dodecahydrate |
No 3D coordinates |
G. N. Tishchenko, K. A. Zykalova, Kristallografiya(Russ. )(Crystallogr. Rep. ), 1963, 8, 561 | ZZZTIM | 1963 |
| 6 |
Potassium methylene sulfamate |
No 3D coordinates |
W. P. Binnie, H. L. Cohen, G. E. Wright, J. Am. Chem. Soc., 1950, 72, 4457 | ZZZLCK | 1950 |
| 7 |
4-methyl-L-phenylalanine |
Hydrogen bonded amino acid chain with bulky substituent |
L.-C.Sogutoglu, M.Lutz, Hugo Meekes, R.de Gelder, Elias Vlieg, Cryst.Growth Des., 2017, 17, 6231 | XESLAL | 2017 |
| 7 |
3',4'-dihydro-3H-spiro[1-benzofuran-2,2'-chromen]-3-ol |
Also in the CSD as NAJTIE |
Tian Tian, Liqi Li, Jijun Xue, Jie Zhang, Ying Li, J.Org.Chem., 2015, 80, 4189 | IGUYOA | 2015 |
| 7 |
(?2-(S)-6',6''-(2,2'-dioxy-1.1'-binaphthyl-3,3'-diyl)-bis(6-(5-t-butyl-3-formyl-2-oxyphenyl)-2,2'-bipyridine))-di-palladium N,N-dimethylformamide diethyl ether solvate hydrate |
To add a comment on this structure please contact us. |
S. Akine, H. Nagumo, T. Nabeshima, Inorg. Chem., 2012, 51, 5506 | FEDVUH | 2012 |
| 7 |
iodo-(fluoro-tetrakis(2-thioxo-1-methylimidazol-3-yl)silane)-platinum chloroform solvate |
To add a comment on this structure please contact us |
J. Autschbach, K. Sutter, L. A. Truflandier, E. Brendler, J. Wagler, Chem. -Eur. J., 2012, 18, 12803 | HEJVEZ | 2012 |
| 7 |
1,4,7,10,13-Pentaoxacyclopentadecane hexaaqua-nickel dinitrate dihydrate |
To add a comment on this structure please contact us |
M. A. Siegler, Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2011, 67, 486 | XEMGIF04 | 2011 |
| 7 |
1,4,7,10,13-Pentaoxacyclopentadecane hexaaqua-nickel dinitrate dihydrate |
To add a comment on this structure please contact us |
M. A. Siegler, Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2011, 67, 486 | XEMGIF05 | 2011 |
| 7 |
Dichloro-(dibenzyl sulfoxide)-dimethyl-tin |
To add a comment on this structure please contact us |
S. W. Ng, Jiegou Huaxue(Chin. J. Struct. Chem. ), 2010, 29, 1584 | JEBPEL01 | 2010 |
| 7 |
Dimethyl (5-chloro-1,3-benzoxazol-2-yl)carbonodithioimidate |
To add a comment on this structure please contact us |
A. Pena-Hueso, F. Tellez, R. Vieto-Pena, R. O. Esquivel, A. Esparza-Ruiz, I. Ramos-Garcia, R. Contreras, N. Barba-Behrens, A. Flores-Parra, J. Mol. Struct., 2010, 984, 409 | QADTEW | 2010 |
| 7 |
bis(2-(diphenylmethyl)pyrrolidin-1-yl)methanone |
To add a comment on this structure please contact us |
D. R. Snead, S. Inagaki, K. A. Abboud, S. Hong, Organometallics, 2010, 29, 1729 | QAGBAD | 2010 |
| 7 |
(N-((1-Benzyl-1H-1,2,3-triazol-4-yl)methyl)prolinato-N,N',O)-tricarbonyl-rhenium tetrahydrofuran solvate hydrate |
To add a comment on this structure please contact us |
T. L. Mindt, H. Struthers, B. Spingler, L. Brans, D. Tourwe, E. Garcia-Garayoa, R. Schibli, ChemMedChem, 2010, 5, 2026 | WAKYAK | 2010 |
| 7 |
2,4,7,8-Tetra-t-butyl-2,4,7,8-tetraaza-1,3,5,6-tetraphosphatricyclo[3.2.1.03,6]octane |
To add a comment on this structure please contact us |
H. Bladt, S. G. Calera, J. M. Goodman, R. J. Less, V. Naseri, A. Steiner, D. S. Wright, Chem. Commun., 2009, 6637 | FUJYIT | 2009 |
| 7 |
(N-(t-Butoxycarbonyl)-trans-2-aminocyclopentanecarbonyl)-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-(trans-2-aminocyclopentanecarbonyl)-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-(trans-2-aminocyclopentanecarboxylic acid) benzyl ester chloroform solvate hydrate |
Acyclic peptide |
Soo Hyuk Choi, I. A. Guzei, L. C. Spencer, S. H. Gellman, J. Am. Chem. Soc., 2009, 131, 2917 | GEFXEV01 | 2009 |
| 7 |
1,8-Divinyldodecahydro-1,4a,4b,8-phenanthrenetetrol |
Five of the seven independent molecules form independent hydrogen bonded chains with the final two independent molecules forming a chain together. |
J. R. Powell, S. Dixon, M. E. Light, J. D. Kilburn, Tetrahedron Lett., 2009, 50, 3564 | RURCIR | 2009 |
| 7 |
Difluoro-(1,3-bis(5-(3,4,5-trimethoxyphenyl)pyrrol-2-yl)propane-1,3-dionato)boron 1,2-dichloroethane solvate hydrate |
Three types of stacking structures, consisting of three, four (2 x two), and four (2 x two) pi-conjugated molecules are formed. |
H. Maeda, Y. Haketa, T. Nakanishi, J. Am. Chem. Soc., 2007, 129, 13661 | VITTEY | 2007 |
| 7 |
Glycyl-L-valine |
All seven molecules have roughly the same conformation bar a small amount of flexibility in the glycine side-chain |
C. H. Gorbitz, S. Agustsdottir, F. Bleken, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2007, 63, o58 | WEVWOK | 2007 |
| 7 |
Benzyl 2-((2-((2-(((2-((2-((2-(((2-((t-butoxycarbonyl)amino)cyclopentyl)carbonyl)amino)-2-methylpropanoyl)amino)-2-methylpropanoyl)amino)cyclopentyl)carbonyl)amino)-2-methylpropanoyl)amino)-2-methylpropanoyl)amino)cyclopentanecarboxylate chloroform solvate hydrate |
Acyclic peptide |
M. A. Schmitt, Soo Hyuk Choi, I. A. Guzei, S. H. Gellman, J. Am. Chem. Soc., 2006, 128, 4538 | GEFXEV | 2006 |
| 7 |
3,4,5,6-Tetrachloro-o-benzoquinone |
beta polymorph. See TCLOBQ02 for alpha polymorph (Z' = 1) |
S. V. Rosokha, S. M. Dibrov, T. Y. Rosokha, J. K. Kochi, Photochem. Photobiol. Sci., 2006, 5, 914 | TCLOBQ01 | 2006 |
| 7 |
trans-anti-2-Cyano-2-isonitroso-N-morpholinylacetamide |
O-H···O chains form along b-axis |
D. Eddings, C. Barnes, N. Gerasimchuk, P. Durham, K. Domasevich, Inorg. Chem., 2004, 43, 3894 | SABPOB | 2004 |
| 7 |
L-Methionyl-L-alanine |
Three different molecular conformations observed. |
C. H. Gorbitz, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2003, 59, o589 | OLOGEB | 2003 |
| 7 |
Di-calcium(ii) copper(ii) hexaformate |
Supercell of VUKSAV (Z' = 0.5) |
P. K. de Perazzo, A. G. Leyva, G. Polla, F. Parisi, M. A. R. de Benyacar, P. Smichowski, H. Lanza, J. Solid State Chem., 1997, 132, 235 | VUKSAV01 | 1997 |
| 7.5 |
(N,N'-bis(3-((2-methylimidazol-4-yl)methyleneamino)propyl)ethylenediamine)-iron(ii) bis(hexafluoroarsenate) |
To add a comment on this structure please contact us. |
N. Brefuel, E. Collet, H. Watanabe, M. Kojima, N. Matsumoto, L. Toupet, K. Tanaka, J. -P. Tuchagues, Chem. -Eur. J., 2010, 16, 14060 | OJIPIH02 | 2010 |
| 7.5 |
bis(pentafluorobenzeneselenolato)-mercury |
To add a comment on this structure please contact us |
T. J. Emge, M. D. Romanelli, B. F. Moore, J. G. Brennan, Inorg. Chem., 2010, 49, 7304 | UJUHIR | 2010 |
| 7.5 |
Sodium 4,4'-(ferrocene-1,1'-dimethylene)-bis(1,4,7-trioxa-10-azacyclododecane) tetraphenylborate |
No 3D coordinates |
H. Plenio, R. Diodone, Inorg. Chem., 1995, 34, 3964 | ZAWJUF | 1995 |
| 8 |
methyl 2-(9H-carbazol-9-yl)benzoate |
Yu Xiong, Zheng Zhao, Weijun Zhao, Huili Ma, Qian Peng, Zikai He, Xuepeng Zhang, Yuncong Chen, Xuewen He, J.W.Y.Lam, Ben Zhong Tang, Angew.Chem.,Int.Ed., 2018, 57, 7997 | CARZIF10 | 2018 | |
| 8 |
4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,5-dithiadiazolyl radical |
D.A.H.J.M.Rawson, Eur.J.Inorg.Chem., 2018 | CIHLEN | 2018 | |
| 8 |
sodium chloro-(3-(4-hydroxyphenyl)-2-{[(3-methoxy-2-oxidophenyl)methylidene]amino}propanoato)-palladium(ii) methanol solvate hydrate |
S.Muche, K.Harms, A.Biernasiuk, Anna Malm, L.Popiolek, A.Hordyjewska, A.Olszewska, M.Holynska, Polyhedron, 2018, 151, 465 | HICTEV | 2018 | |
| 8 |
lamivudinium lamivudine trifluoroacetate hemihydrate |
C.C.da Silva, A.K.Valdo, J.A.do N.Neto, L.Ribeiro, A.M.Sarotti, F.T.Martins, CrystEngComm, 2018, 20, 3049 | LICVAX | 2018 | |
| 8 |
3-benzyl-8-[1-(benzyloxy)ethyl]-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one |
K.B.H.Salah, B.Legrand, M.Bibian, E.Wenger, J.-A.Fehrentz, S.Denoyelle, Org.Lett., 2018, 20, 3250 | LICZOP | 2018 | |
| 8 |
pyridine thiourea |
M.Strey, P.G.Jones, Acta Crystallogr.,Sect.C:Cryst.Struct.Chem., 2018, 74, 406 | PESMAE | 2018 | |
| 8 |
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-5,7-dihydroindolo[2,3-b]carbazole |
Very large, awkwardly shaped non-planar aromatic |
Dongdong Zhang, Xiaozeng Song, Minghan Cai, H.Kaji, Lian Duan, Adv.Mater., 2018, 1705406 | QENPUX | 2018 |
| 8 |
1-(2H-1,3-benzodioxol-2-yl)-2-benzyl-4-(4-methoxyphenyl)-1,2-dihydroisoquinoline |
Rigid non-planar shaped aromatic |
Qiu Sun, Yuan-Yuan Zhang, Jing Sun, Ying Han, Xiaodong Jia, Chao-Guo Yan, Org.Lett., 2018 | VEVJIS | 2018 |
| 8 |
(5,8,11,14,17-penta-t-butylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)diphenylphosphine oxide toluene methanol solvate |
J.N.Smith, J.M.Hook, N.T.Lucas, J.Am.Chem.Soc., 2018, 140, 1131 | YESTEY | 2018 | |
| 8 |
methyl 5-(hexa-1,3-dien-1-yl)-2-[4-(3-hydroxybutan-2-yl)-3-methoxy-5,7-dimethyl-2,8-dioxobicyclo[3.2.1]oct-3-en-6-yl]-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate |
Guo-Ping Yin, Ya-Rong Wu, Chao Han, Xiao-Bing Wang, Hong-Liang Gao, Yong Yin, Ling-Yi Kong, Ming-Hua Yang, Org.Chem.Front., 2018 | ZETWAZ | 2018 | |
| 8 |
3-(diphenylamino)-9H-xanthen-9-one |
Rigid, awkward shape |
Yuewei Zhang, Yang Miao, Xiaoxian Song, Yu Gao, Zuolun Zhang, Kaiqi Ye, Yue Wang, J.Phys.Chem.Lett., 2017, 8, 4808 | BEDRIO01 | 2017 |
| 8 |
2-(4-bromophenyl)-2-(9H-carbazol-9-yl)ethanol |
Bulky monoalcohol arranged in two tetrameric hydrogen bonded rings linked by edge-to-face pi interactions. See Brock & Duncan, Chem. Mater., 1994, 6, 1307 for analysis of monoalcohol packing. |
V.Arredondo, S.C.Hiew, E.S.Gutman, I.D.U.A.Premachandra, D.L.Van Vranken, Angew.Chem.,Int.Ed., 2017 | GAVJEV | 2017 |
| 8 |
5,7-dihydroxy-2-phenyl-4H-chromen-4-one |
To add a comment on this structure please contact us |
Renu Chadha, Y.Bhalla, A.Nandan, K.Chadha, M.Karan, J.Pharm.Biomed.Anal., 2017, 134, 361 | IYIWIY | 2017 |
| 8 |
3-phenyl-4-(phenylsulfanyl)butyl pyrene-1-carboxylate |
Extensive aromatic stacking |
M.Silvi, C.Verrier, Y.P.Rey, L.Buzzetti, P.Melchiorre, Nature Chemistry, 2017 | LAQFUH | 2017 |
| 8 |
catena-[(mu-5-fluoro-N-(2-oxo-2-(2-(2-(pyridin-3-ylcarbamoyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)ethyl)nicotinamide)-silver bis(trifluoromethylsulfonyl)amide 2-propanol solvate sesquihydrate] |
T.Sawada, M.Yamagami, Shuji Akinaga, T.Miyaji, M.Fujita, Chem.Asian J., 2017, 12, 1715 | NEGXUV | 2017 | |
| 8 |
fluoranthene 1,2,3,4-tetrafluoro-5,6-diiodobenzene |
Aromatic stacking cocrystal sigma hole- pi bonds |
Lili Li, Hui Wang, Weizhou Wang, Wei Jun Jin, CrystEngComm, 2017, 19, 5058 | NEGZEH | 2017 |
| 8 |
2,8,11,17-tetrabenzyl-5,14-dimethyl-1,2,4,7,10,11,13,16-octaazacyclooctadecane-3,6,9,12,15,18-hexone hydrate |
Stacked hydrogen bonded cyclic hexapeptide |
M.I.A.Ibrahim, Zhou Zhou, Cheng Deng, C.Didierjean, R.Vanderesse, J.Bodiguel, M.-C.Averlant-Petit, B.Jamart-Gregoir, Eur.J.Org.Chem., 2017, 4703 | QAZZUP | 2017 |
| 8 |
2-azaniumylheptanoate |
Layered amino acid structure, Polymorph II of TETBUS01 |
M.M.H.Smets, M.B.Pitak, J.Cadden, V.R.Kip, G.A.de Wijs, E.R.H.van Eck, P.Tinnemans, Hugo Meekes, Elias Vlieg, S.J.Coles, H.M.Cuppen, Cryst.Growth Des., 2017, 18, 242 | TETBUS02 | 2017 |
| 8 |
3-(morpholin-4-yl)-2-phenylimidazo[1,2-a]pyridine |
Molecule has flat and bulky regions ADDSYM check and subsequent refinment suggests the structure is P2(1)/c with Z' = 2 |
S.Mondal, S.Samanta, S.Jana, A.Hajra, J.Org.Chem., 2017, 82, 4504 | VAWPUH | 2017 |
| 8 |
1-((5-bromo-2,4-dimethoxyphenyl)methyl)-5-(3-oxobutyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one |
Resolved chiral compound |
A.Arlt, H.Toyama, K.Takada, T.Hashimoto, K.Maruoka, Chem.Commun., 2017, 53, 4779 | WANJAZ | 2017 |
| 8 |
(5-{[(4-methylphenyl)sulfonyl]methyl}-2-phenyl-1H-pyrrol-3-yl)(phenyl)methanone |
Awkward shaped hydrogen bonded imidazole |
Jiawei Tang, P.Sivaguru, Yongquan Ning, G.Zanoni, Xihe Bi, Org.Lett., 2017, 19, 4026 | WEDMAW | 2017 |
| 8 |
bis(tetra-n-butylammonium) dihydrogen diphosphate 6,18,30,42-tetramethyl-3,4,5,8,15,16,17,20,27,28,29,32,39,40,41,44,49,51,53,55-icosa-azanonacyclo[43.3.1.1$2,5!.1$9,13!.1$14,17!.1$21,25!.1$26,29!.1$33,37!.1$38,41!]hexapentaconta-1(49),2(56),3,9(55),10,12,14(54),15,21(53),22,24,26(52),27,33(51),34,36,38(50),39,45,47-icosaene-7,19,31,43-tetrone 4-hydroxy-4-methylpentan-2-one acetone unknown solvate hydrate |
Dimeric aggregates of a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole around a central dihydrogen diphosphate anion. Solvate of XAZPUM |
Disha Mungalpara, A.Valkonen, K.Rissanen, S.Kubik, Chemical Science, 2017, 8, 6005 | XAZPOG | 2017 |
| 8 |
bis(tetra-n-butylammonium) 6,18,30,42-tetramethyl-3,4,5,8,15,16,17,20,27,28,29,32,39,40,41,44,49,51,53,55-icosaazanonacyclo[43.3.1.1$2,5!.1$9,13!.1$14,17!.1$21,25!.1$26,29!.1$33,37!.1$38,41!]hexapentaconta-1(49),2(56),3,9(55),10,12,14(54),15,21(53),22,24,26(52),27,33(51),34,36,38(50),39,45,47-icosaene-7,19,31,43-tetrone bis(dihydrogen phosphate) dimethyl sulfoxide unknown solvate |
Dimeric aggregates of a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole around a central dihydrogen phosphate anion. Related to XAZPOG and XAZPUM |
Disha Mungalpara, A.Valkonen, K.Rissanen, S.Kubik, Chemical Science, 2017, 8, 6005 | XAZQAT | 2017 |
| 8 |
(S)-3-bromo-2H,5'H-spiro[naphthalene-1,2'-oxolane]-2,5'-dione |
Rigid, awkward spiro geometry |
M.Uyanik, T.Yasui, K.Ishihara, J.Org.Chem., 2017, 82, 11946 | XEPNOY | 2017 |
| 8 |
7-(4-methylphenyl)-2,5-dithia-7-azabicyclo[2.2.1]heptane |
Molecule has flat and bulky regions |
Xia Wu, Xiao Geng, Peng Zhao, Jingjing Zhang, Xingxing Gong, Yan-dong Wu, An-xin Wu, Org.Lett., 2017, 19, 1550 | YAQVUK | 2017 |
| 8 |
hexakis(mu-carbonyl)-hexacarbonyl-bis(1,3-bis(2,6-di-isopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)-hexa-platinum-di-silver dichloromethane solvate |
Coordinates not deposited. No discussion of high Z' in paper. |
M.Bortoluzzi, C.Cesari, I.Ciabatti, C.Femoni, M.C.Iapalucci, S.Zacchini, Inorg.Chem., 2017 | YATFIL | 2017 |
| 8 |
N-acetylphenylalanylphenylalanylvalyl-6-azaniumylnorleucylprolyl-O-(hydroxyphosphinato)seryl-5-oxidanidyl-5-oxidanylidenenorvalylvalyl-N-(1-azaniumyl-1-oxo-3-phenylpropan-2-yl)phenylalaninamide 2,2,2-trifluoroethan-1-ol unknown solvate hydrate |
Hydrogen bonded peptide |
M.Pellah, S.Mondal, K.Harlos, D.Mance, M.Baldus, Ehud Gazit, L.J.W.Shimon, Angew.Chem.,Int.Ed., 2017, 56, 3252 | YAXLAN | 2017 |
| 8 |
(4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylhexahydro[1,3]dioxolo[3,4]pyrrolo[1,2-b][1,2]oxazol-7-yl)methyl benzoate |
T.Malatinsky, M.Spisakova, M.Babjak, J.Dohanosova, J.Marek, J.Moncol, R.Fischer, Eur.J.Org.Chem., 2017, 1086 | YIFPOV | 2017 | |
| 8 |
4-thio-5-(2''-thienyl)uridine hemihydrate |
To add a comment on this structure please contact us |
Xiaohui Zhang, Depeng Li, Jianzhong Qin, Yaozhong Xu, Kedong Ma, RSC Advances, 2016, 6, 70099 | ARALUC | 2016 |
| 8 |
6-chloro-9-pentyl-9H-purin-2-amine |
To add a comment on this structure please contact us |
Yoona Jang, Seo Yeon Yoo, Hye Rin Gu, Yu Jin Lee, Young Shin Cha, Laekyeong You, Kyungkyou Noh, Jaheon Kim, CrystEngComm, 2016, 18, 62 | CUVZUQ | 2016 |
| 8 |
6,7-dimethyltetrazolo[1,5-b][1,2,4]triazine |
To add a comment on this structure please contact us |
Xiuxiu Zhao, Shaowen Zhang, Shenghua Li, Jia Lu, Jichuan Zhang, Siping Pang, Materials and Design, 2016, 90, 1050 | CUZJIS | 2016 |
| 8 |
5-(2-phenylethyl)-1H-tetrazole |
To add a comment on this structure please contact us |
P.Lassalas, Bryant Gay, C.Lasfargeas, M.J.James, Van Tran, K.G.Vijayendran, K.R.Brunden, M.C.Kozlowski, C.J.Thomas, A.B.Smith III, D.M.Huryn, C.Ballatore, J.Med.Chem., 2016, 59, 3183 | ELAJEI | 2016 |
| 8 |
2,6-Dichloro-N-phenylbenzamide |
To add a comment on this structure please contact us |
M.E.Light, C.Haynes, P.A.Gale, CSD Communication(Private Communication), 2016 | EVEJUL01 | 2016 |
| 8 |
6-chloro-5-(3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl)-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide nitromethane solvate hydrate |
To add a comment on this structure please contact us |
S.H.Watterson, G.V.De Lucca, Qing Shi, C.M.Langevine, Qingjie Liu, D.G.Batt, M.B.Bertrand, Hua Gong, Jun Dai, Shiuhang Yip, Peng Li, Dawn Sun, Dauh-Rurng Wu, Chunlei Wang, Yingru Zhang, S.C.Traeger, M.A.Pattoli, S.Skala, Lihong Cheng, M.T.Obermeier, R.Vickery, L.N.Discenza, C.J.DArienzo, Yifan Zhang, E.Heimrich, K.M.Gillooly, T.L.Taylor, C.Pulicicchio, K.W.McIntyre, M.A.Galella, A.J.Tebben, J.K.Muckelbauer, ChiehYing Chang, R.Rampulla, A.Mathur, L.Salter-Cid, J.C.Barrish, P.H.Carter, A.Fura, J.R.Burke, J.A.Tino, J.Med.Chem., 2016, 59, 9173 | EVUZEC | 2016 |
| 8 |
methyl N-(t-butoxycarbonyl)leucylleucyl-2-methylalanylleucylleucyl-2-methylalanylleucylleucyl-2-methylalanylleucylleucyl-2-methylalaninate acetone solvate |
12 residue acyclic peptide. Hydrogen bonded stacks. |
Y.Demizu, K.Okitsu, M.Doi, T.Misawa, M.Oba, M.Tanaka, M.Kurihara, Chem. Sel., 2016, 1, 5805 | FEMJIT | 2016 |
| 8 |
2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol |
To add a comment on this structure please contact us |
A.Bahadoor, D.Schneiderman, L.Gemmill, W.Bosnich, B.Blackwell, J.E.Melanson, G.McRae, L.J.Harris, J.Nat.Prod., 2016, 79, 81 | GACLEE | 2016 |
| 8 |
1H-pyrrolo[2,3-b]pyridine |
Small rigid molecule exhibiting hydrogen bonding aand aromatic stacking. The deutero analogue is isomorphous (JESPAY02) |
A.R.Kennedy, J.Tomkinson, CSD Communication(Private Communication), 2016 | JESPAY01 | 2016 |
| 8 |
2-(Trimethylsilyl)ethyl N-(2-azido-2-methylpropanoyl)-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalaninate |
To add a comment on this structure please contact us |
J.E.Jones, V.Diemer, C.Adam, J.Raftery, R.E.Ruscoe, J.T.Sengel, M.I.Wallace, A.Bader, S.L.Cockroft, J.Clayden, S.J.Webb, J.Am.Chem.Soc., 2016, 138, 688 | KAJVAV | 2016 |
| 8 |
4-(4-Trifluormethylphenyl)-1,2,3,5-dithiadiazolyl radical |
To add a comment on this structure please contact us |
R.T.Boere, CrystEngComm, 2016, 18, 2748 | LIXGAB01 | 2016 |
| 8 |
4,5,6,7-Tetrafluoro-2,1,3-benzoselenadizole |
To add a comment on this structure please contact us |
T.F.Mikhailovskaya, A.G.Makarov, N.Yu.Selikhova, A.Yu.Makarov, E.A.Pritchina, I.Yu.Bagryanskaya, E.V.Vorontsova, I.D.Ivanov, V.D.Tikhova, N.P.Gritsan, Y.G.Slizhov, A.V.Zibarev, J.Fluorine Chem., 2016, 183, 44 | NABSAN | 2016 |
| 8 |
sodium 6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide hydrate |
To add a comment on this structure please contact us |
K.A.Slepokura, Acta Crystallogr.,Sect.C:Cryst.Struct.Chem., 2016, 72, 35 | PAFTAU | 2016 |
| 8 |
9H-Dibenzo[4,5:6,7]cyclohepta[1,2-b]pyridin-9-one |
To add a comment on this structure please contact us |
N.Marquise, F.Chevallier, E.Nassar, M.Frederich, A.Ledoux, Y.S.Halauko, O.A.Ivashkevich, V.E.Matulis, T.Roisnel, V.Dorcet, Florence Mongin, Tetrahedron, 2016, 72, 825 | SUYSUC | 2016 |
| 8 |
2'-(4-bromophenyl)-4'-hydroxy-4',5'-dihydro- 3H-spiro[1-benzofuran-2,3'-thiophen]-3-one |
To add a comment on this structure please contact us |
D.Kowalczyk, J.Wojciechowski, L.Albrecht, Tetrahedron Lett., 2016, 57, 2533 | UMAHAT | 2016 |
| 8 |
4-benzoyl-2-methoxy-7,7-dimethyl-1,6-bis(3-methylbut-2-en-1-yl)-5,10-dioxo-3-oxatricyclo[4.3.1.0$2,4!]decane-8-carboxylic acid |
To add a comment on this structure please contact us |
E.Lobkovsky, J.Porco, CSD Communication(Private Communication), 2016 | UZILIA | 2016 |
| 8 |
1-t-butyl-2,3-dihydro-1H-1,3,2-benzodiazagermole |
To add a comment on this structure please contact us |
S.Krupski, C.S.to Brinke, H.Koppetz, A.Hepp, F.Ekkehardt Hahn, Organometallics, 2015, 34, 2624 | BUHTEF | 2015 |
| 8 |
2-[5-chloro-2-((E)-2-phenylethenyl)phenoxy]pyridine |
Extensive edge-to-face aromatic interactions and an apparently awkward shape |
A.J.Borah, Guobing Yan, Lianggui Wang, Eur.J.Org.Chem., 2015, 4782 | BULWEM | 2015 |
| 8 |
1,4-dihydroxy-9,10-anthraquinone |
To add a comment on this structure please contact us |
D.Cheuk, M.Svard, C.Seaton, P.McArdle, A.C.Rasmuson, CrystEngComm, 2015, 17, 3985 | DHXANT13 | 2015 |
| 8 |
3,6,10,13,16,19-hexabutoxypentacyclo[6.6.6.0$2,7!.0$9,14!.0$15,20!]icosa-2,4,6,9,11,13,15,17,19-nonaene |
To add a comment on this structure please contact us |
M.R.Talipov, T.S.Navale, R.Rathore, Angew.Chem.,Int.Ed., 2015, 54, 14468 | FABSEJ | 2015 |
| 8 |
1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-aminium chloride |
To add a comment on this structure please contact us |
Jian-Rong Wang, Sha Li, Bingqing Zhu, Xuefeng Mei, J.Pharm.Biomed.Anal., 2015, 109, 45 | HUCHEU01 | 2015 |
| 8 |
2-methylpropan-2-amine hydrate |
To add a comment on this structure please contact us |
L.Dobrzycki, P.Taraszewska, R.Boese, M.K.Cyranski, S.A.Cirkel, Angew.Chem.,Int.Ed., 2015, 54, 10138 | RABJOP01 | 2015 |
| 8 |
(4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl)(4-methoxyphenyl)methanone diethyl ether solvate |
To add a comment on this structure please contact us |
A.K.Pitts, F.O'Hara, R.H.Snell, M.J.Gaunt, Angew.Chem.,Int.Ed., 2015, 54, 5451 | TUCGIJ | 2015 |
| 8 |
(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)-(2,6-bis(propan-2-yloxy)benzylidene)-dichloro-ruthenium |
To add a comment on this structure please contact us |
M.Barbasiewicz, CSD Communication(Private Communication), 2015 | WUQQEG | 2015 |
| 8 |
dichloro-(N-(2,6-diethylphenyl)-2-(1-((2,6-diethylphenyl)imino)ethyl)-5,6,7,8-tetrahydro-9H-cyclohepta[b]pyridin-9-imine)-iron |
To add a comment on this structure please contact us |
Fang Huang, Qifeng Xing, Tongling Liang, Z.Flisak, Bin Ye, Xinquan Hu, Wenhong Yang, Wen-Hua Sun, Dalton Trans., 2014, 43, 16818 | BOTHAV | 2014 |
| 8 |
Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
To add a comment on this structure please contact us |
M.K.Mishra, G.R.Desiraju, U.Ramamurty, A.D.Bond, Angew.Chem.,Int.Ed., 2014, 53, 13102 | DONTIJ06 | 2014 |
| 8 |
bis(2,2'-bipyridine)-(11,12-dichlorodipyrido[3,2-a:2',3'-c]phenazine)-ruthenium chloride dodecahydrate |
To add a comment on this structure please contact us |
K.Van Hecke, T.Cardinaels, P.Nockemann, J.Jacobs, L.Vanpraet, T.N.Parac-Vogt, Rik Van Deun, K.Binnemans, L.Van Meervelt, Angew.Chem.,Int.Ed., 2014, 53, 8959 | GODMAP | 2014 |
| 8 |
N,N,N-Trimethylbenzylammonium tetraphenylborate acetonitrile solvate |
To add a comment on this structure please contact us |
W.Clegg, M.R.Probert, R.A.Henderson, A.Alwaaly, CSD Communication(Private Communication), 2014 | HOGKUL | 2014 |
| 8 |
tricarbonyl-(1-(dicyclopentylphosphino)-N,N-bis((dicyclopentylphosphino)methyl)methanamine)-ruthenium |
To add a comment on this structure please contact us |
A.Phanopoulos, N.J.Brown, A.J.P.White, N.J.Long, P.W.Miller, Inorg.Chem., 2014, 53, 3742 | JOCQID | 2014 |
| 8 |
mer,cis-[tris(trimethylphosphine)trimethylsilylethynyl-2,5-bis(p-methylthiophenylethynyl)-3,4-bis(p-methylthiophenyl)rhodacyclopenta-2,4-diene] |
To add a comment on this structure please contact us |
A.Steffen, R.M.Ward, Meng Guan Tay, R.M.Edkins, F.Seeler, M.van Leeuwen, L.O.Palsson, A.Beeby, A.S.Batsanov, J.A.K.Howard, T.B.Marder, Chem.-Eur.J., 2014, 20, 3652 | JOGLIC | 2014 |
| 8 |
3-methyl-6H,8H-benzo[3,4]isochromeno[7,6-c]chromen-6-one |
To add a comment on this structure please contact us |
M.Kayalvizhi, G.Vasuki, A.I.Khatri, S.D.Samant, Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2014, 70, o838 | KOJDOE | 2014 |
| 8 |
4-bromopyridinium bis((4-bromophenyl)sulfonyl)amide |
To add a comment on this structure please contact us |
A.Blaschette, P.G.Jones, V.Lozano, M.Freytag, CSD Communication(Private Communication), 2014 | LABQOX | 2014 |
| 8 |
3-(3-hydroxy-2-oxo-1-((triethylsilyl)oxy)propyl)-7-iodo-3-((triethylsilyl)oxy)-1,3-dihydro-2H-indol-2-one |
To add a comment on this structure please contact us |
A.Coste, A.Bayle, J.Marrot, G.Evano, Org.Lett., 2014, 16, 1306 | MIZFAE | 2014 |
| 8 |
1-(1-(5,5-Dimethylcyclohex-1-en-1-yl)pent-4-en-1-ylidene)-2-(2,4-dinitrophenyl)hydrazine |
To add a comment on this structure please contact us |
S.Dorrich, A.Ulmer, C.Mahler, C.Burschka, J.A.Baus, R.Tacke, An Chai, Changming Ding, Yue Zou, G.Brunner, A.Goeke, P.Kraft, Eur.J.Inorg.Chem., 2014, 4394 | MOGJAV | 2014 |
| 8 |
Chloro-(2-(((3-(dimethylamino)propyl)imino)methyl)-5-fluorophenyl)-platinum |
To add a comment on this structure please contact us |
A.Gandioso, J.Valle-Sistac, L.Rodriguez, M.Crespo, M.Font-Bardia, Organometallics, 2014, 33, 561 | NISWET | 2014 |
| 8 |
(1R,2R,5S,6R,8R,9S,11R)-2-((t-Butyl(dimethyl)silyl)oxy)-11-hydroxy-8-methoxy-5,9-dimethyltricyclo[6.2.1.0$1,6!]undec-3-ene-7,10-dione |
To add a comment on this structure please contact us |
J.Preindl, C.Leitner, S.Baldauf, J.Mulzer, Org.Lett., 2014, 16, 4276 | POVYEG | 2014 |
| 8 |
1-((4-Methylphenyl)sulfonyl)-1H-indole-3-carbaldehyde |
To add a comment on this structure please contact us |
J.Zukerman-Schpector, L.S.Madureira, G.D.Wulf, H.A.Stefani, S.N.S.Vasconcelos, Seik Weng Ng, E.R.T.Tiekink, Molecules, 2014, 19, 1990 | TUJSAU | 2014 |
| 8 |
3-(Methylamino)cyclohexane-1,2-diol |
To add a comment on this structure please contact us |
S.G.Davies, D.S.Hewings, J.A.Lee, W.Kurusawa, P.M.Roberts, J.E.Thomson, J.Chem.Cryst., 2014, 44, 30 | VOFCEA | 2014 |
| 8 |
(5,5'-Diphenyl-1,1'-bi(cyclohex-1-en-1-yl)-4,4'-diyl)dimethanol |
To add a comment on this structure please contact us. |
N. J. Green, A. L. Lawrence, Gomotsang Bojase, A. C. Willis, M. N. Paddon-Row, M. S. Sherburn, Angew. Chem. ,Int. Ed., 2013, 52, 8333 | CICTIT | 2013 |
| 8 |
5',7'-Dibromo-6'-hydroxy-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-2-carboxylic acid 1,2-dichloroethane solvate |
To add a comment on this structure please contact us |
Yingcai Wang, Jiwen Liu, P. J. Dransfield, Liusheng Zhu, Zhongyu Wang, Xiaohui Du, Xianyun Jiao, Yongli Su, An-rong Li, S. P. Brown, A. Kasparian, M. Vimolratana, Ming Yu, V. Pattaropong, J. B. Houze, G. Swaminath, ACS. Med. Chem. Lett., 2013, 4, 551 | DEYXOW | 2013 |
| 8 |
bis(2-(1,3-benzothiazol-2-yl)phenyl)-acetylacetonato-iridium |
To add a comment on this structure please contact us |
J. M. Cole, K. F. Bowes, I. P. Clark, Kian Sing Low, A. Zeidler, A. W. Parker, I. R. Laskar, Teng-Ming Chen, Cryst. Growth Des., 2013, 13, 1826 | DIHZAX | 2013 |
| 8 |
2-Methyl-7H-benzo[c]xanthen-7-one |
To add a comment on this structure please contact us |
Ming Cheng, Jianwei Yan, Feng Hu, Hong Chen, Youhong Hu, Chemical Science, 2013, 4, 526 | FEHFEF | 2013 |
| 8 |
Tricarbonyl-(bis(pyridin-2-yl)(1H-pyrrol-2-yl)methanolato)-rhenium |
To add a comment on this structure please contact us |
M. Toganoh, N. Harada, H. Furuta, Polyhedron, 2013, 52, 1153 | GEWVOV | 2013 |
| 8 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
To add a comment on this structure please contact us |
A. Yamamoto, T. Hamada, I. Hisaki, M. Miyata, N. Tohnai, Angew. Chem., Int. Ed., 2013, 52, 1709 | HEBGIG02 | 2013 |
| 8 |
(η2,η2-Diethyl 3-((4-methylphenyl)sulfonyl)-4-(triisopropylsilyl)hexa-2,4-dienedioate)-(η5-cyclopentadienyl)-cobalt |
To add a comment on this structure please contact us |
J. M. OConnor, K. K. Baldridge, C. L. Velez, A. L. Rheingold, C. E. Moore, J. Am. Chem. Soc., 2013, 135, 8826 | IFASIT | 2013 |
| 8 |
1,1,1,3,3,3-Hexafluoro-2-((1-(3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl)-1H-imidazol-3-ium-3-yl)methyl)propan-2-olate |
To add a comment on this structure please contact us |
J. W. Runyon, W. J. Marshall, V. A. Petrov, A. J. Arduengo III, J. S. Dolphin, J. C. Nelson, G. Garau, Angew. Chem., Int. Ed., 2013, 52, 5110 | KIRHEA | 2013 |
| 8 |
4-(2-Methylphenyl)-3H-1,2,3,5-dithiadiazole |
To add a comment on this structure please contact us |
Y. Beldjoudi, D. A. Haynes, J. J. Hayward, W. J. Manning, D. R. Pratt, J. M. Rawson, CrystEngComm, 2013, 15, 1107 | LELQAW | 2013 |
| 8 |
8-Benzyl-17-isobutyl-16-methyl-1,7,10,16,19,22,25,26-octaazatricyclo[22.2.1.010,14]heptacosa-24(27),25-diene-6,9,15,18,21-pentone tetrahydrofuran solvate hydrate |
To add a comment on this structure please contact us |
Gagan Chouhan, K. James, Org. Lett., 2013, 15, 1206 | MEYRIT | 2013 |
| 8 |
4-((t-Butyl(dimethyl)silyl)oxy)-3-hydroxy-3,7-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbaldehyde |
To add a comment on this structure please contact us |
K. Ota, H. Miyaoka, Chem. Commun., 2013, 49, 8148 | PIJVAH | 2013 |
| 8 |
3,5-Dinitro-1H-1,2,4-triazol-1-amine |
To add a comment on this structure please contact us |
Yanqiang Zhang, D. A. Parrish, J. M. Shreeve, J. Mater. Chem. A, 2013, 1, 585 | VAZCAC01 | 2013 |
| 8 |
3-(4-Bromophenyl)-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-one |
To add a comment on this structure please contact us |
L. C. Morrill, J. Douglas, T. Lebl, A. M. Z. Slawin, D. J. Fox, A. D. Smith, Chemical Science, 2013, 3, 4146 | ZILJEL | 2013 |
| 8 |
Chloro-(dimethylsulfoxide)-(2-(5-methylpyridin-2-yl)phenyl)-platinum |
To add a comment on this structure please contact us |
I. Sasaki, C. Bijani, S. Ladeira, V. Bourdon, P. Faller, C. Hureau, Dalton Trans., 2012, 41, 6404 | FAZRUV | 2012 |
| 8 |
Dichloro-(9,9'-propane-2,2-diylbis(7a,10a-dihydro-7H-benzo[6,7]indeno[1,2-d][1,3]oxazole)-N,N')-copper(ii) dichloromethane solvate |
To add a comment on this structure please contact us |
V. L. Rendina, S. A. Goetz, A. E. Neitzel, H. Z. Kaplan, J. S. Kingsbury, Tetrahedron Lett., 2012, 53, 15 | GAVWEH | 2012 |
| 8 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
To add a comment on this structure please contact us |
A. Yamamoto, S. Uehara, T. Hamada, M. Miyata, I. Hisaki, N. Tohnai, Cryst. Growth Des., 2012, 12, 4600 | HEBGIG | 2012 |
| 8 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
To add a comment on this structure please contact us |
A. Yamamoto, S. Uehara, T. Hamada, M. Miyata, I. Hisaki, N. Tohnai, Cryst. Growth Des., 2012, 12, 4600 | HEBGIG01 | 2012 |
| 8 |
(2R,5R)-2-benzyl-1-(4-fluorobenzyl)-5-methylpiperazine monohydrate |
To add a comment on this structure please contact us |
Huimin Zhai, A. Borzenko, Ying Yin Lau, Shin Hye Ahn, L. L. Schafer, Angew. Chem., Int. Ed., 2012, 51, 12219 | IGAKEI | 2012 |
| 8 |
di-lithium N-(2,6-diisopropylphenyl)-N-(diphenylphosphino)amide hydride hexane toluene solvate |
To add a comment on this structure please contact us |
A. Stasch, Angew. Chem., Int. Ed., 2012, 51, 1930 | LAVPAB | 2012 |
| 8 |
di-lithium N-(2,6-diisopropylphenyl)-N-(diphenylphosphino)amide hydride benzene solvate |
To add a comment on this structure please contact us |
A. Stasch, Angew. Chem., Int. Ed., 2012, 51, 1930 | LAVPEF | 2012 |
| 8 |
Chloro-(N-phenyl-6-(phenylcarbamothioyl)pyridine-2-carbimidothioato)-platinum |
To add a comment on this structure please contact us |
Qi-Qiang Wang, R. A. Begum, V. W. Day, K. Bowman-James, Inorg. Chem., 2012, 51, 760 | QAWNEJ | 2012 |
| 8 |
4,6-Diazido-3-((3-azido-6-(dimethoxymethyl)-3,4-dihydro-2H-pyran-2-yl)oxy)cyclohexane-1,2-diol |
To add a comment on this structure please contact us. |
S. Hanessian, J. P. Maianti, V. L. Ly, B. Deschenes-Simard, Chemical Science, 2012, 3, 249 | RAKBUC | 2012 |
| 8 |
3,5-Dinitro-1H-1,2,4-triazol-1-amine |
To add a comment on this structure please contact us. |
T. M. Klapotke, D. G. Piercey, J. Stierstorfer, Dalton Trans., 2012, 41, 9451 | VAZCAC | 2012 |
| 8 |
(Diphenylphosphine)-(iodo)-(1,10-phenanthroline)-copper chloroform solvate |
To add a comment on this structure please contact us |
I. Abdellah, E. Bernoud, J. -F. Lohier, C. Alayrac, L. Toupet, C. Lepetit, A. -C. Gaumont, Chem. Commun., 2012, 48, 4088 | ZARYEY | 2012 |
| 8 |
acetonitrile-tricarbonyl-(1,1'-bis(diphenylphosphino)ferrocene)-rhenium trifluoromethanesulfonate |
To add a comment on this structure please contact us |
S. Roy, T. Blane, A. Lilio, C. P. Kubiak, Inorg. Chim. Acta, 2011, 374, 134 | ETIBUF | 2011 |
| 8 |
(5-Methyl-2-(phenylaminoborylamino)phenyl)-carbonyl-bis(tri-isopropylphosphine)-osmium |
To add a comment on this structure please contact us. |
M. L. Buil, M. A. Esteruelas, K. Garces, E. Onate, J. Am. Chem. Soc., 2011, 133, 2250 | EVOXIX | 2011 |
| 8 |
5-Methylbenzene-1,3-diol |
To add a comment on this structure please contact us |
A. Mukherjee, P. Grobelny, T. S. Thakur, G. R. Desiraju, Cryst. Growth Des., 2011, 11, 2637 | EWAMAR01 | 2011 |
| 8 |
4-((E)-2-(3,4-Dichlorophenyl)-1-ethenyl)pyridinium perchlorate benzene solvate |
To add a comment on this structure please contact us |
L. G. Kuz'mina, A. I. Vedernikov, S. K. Sazonov, N. A. Lobova, A. V. Churakov, E. Kh. Lermontova, J. A. K. Howard, M. F. Alfimov, S. P. Gromov, Izv. Akad. Nauk SSSR, Ser. Khim. (Russ. )(Russ. Chem. Bull. ), 2011, 1708 | GEKMUG | 2011 |
| 8 |
1,2,5-Thiadiazole-3,4-dicarbonitrile |
To add a comment on this structure please contact us |
E. A. Suturina, N. A. Semenov, A. V. Lonchakov, I. Yu. Bagryanskaya, Y. V. Gatilov, I. G. Irtegova, N. V. Vasilieva, E. Lork, R. Mews, N. P. Gritsan, A. V. Zibarev, J. Phys. Chem. A, 2011, 115, 4851 | HAMFOS | 2011 |
| 8 |
(isonicotinamide) monohydrate |
To add a comment on this structure please contact us |
N. B. Bathori, A. Lemmerer, G. A. Venter, S. A. Bourne, M. R. Caira, Cryst. Growth Des., 2011, 11, 75 | MOVTIB02 | 2011 |
| 8 |
Methyl 3-((4-benzyl-2-oxo-1,3-oxazolidin-3-yl)methyl)benzoate |
To add a comment on this structure please contact us |
N. Fresno, R. Perez-Fernandez, P. Goya, M. L. Jimeno, I. Alkorta, J. Elguero, L. Menendez-Taboada, S. Garcia-Granda, Tetrahedron, 2011, 67, 9104 | NANBEL | 2011 |
| 8 |
Acetonitrile-(6,6''-bis(perfluorohexyl)-2,2'-bipyridine)-copper tetrafluoroborate |
To add a comment on this structure please contact us |
V. Madhu, Y. Diskin-Posner, R. Neumann, Eur. J. Inorg. Chem., 2011, 1792 | UVOWIM | 2011 |
| 8 |
Trimethyl-(pyridine)-(1,3-di(t-butyl)propane-1,3-dionato)-platinum(iv) |
To add a comment on this structure please contact us |
G. I. Zharkova, I. A. Baidina, D. Yu. Naumov, I. K. Igumenov, Zh. Strukt. Khim. (Russ. )(J. Struct. Chem. ), 2011, 52, 566 | VEQLOU | 2011 |
| 8 |
(+)-N-(1-(Adamantan-1-yl)ethyl)-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide hydrate |
To add a comment on this structure please contact us |
E. Stern, L. Goossens, P. Retailleau, B. Kauffmann, J. -P. Bonte, P. Depreux, J. -F. Goossens, Chirality, 2011, 23, 389 | WASFUT | 2011 |
| 8 |
Benzene-1,2-diaminium oxonium hydrogen sulfate sulfate hydrate |
To add a comment on this structure please contact us |
K. M. Anderson, A. E. Goeta, J. E. Martin, S. A. Mason, G. J. McIntyre, B. C. R. Sansam, C. Wilkinson, J. W. Steed, Cryst. Growth Des., 2011, 11, 4904 | ZATLAJ02 | 2011 |
| 8 |
Benzene-1,2-diaminium oxonium hydrogen sulfate sulfate hydrate |
To add a comment on this structure please contact us |
K. M. Anderson, A. E. Goeta, J. E. Martin, S. A. Mason, G. J. McIntyre, B. C. R. Sansam, C. Wilkinson, J. W. Steed, Cryst. Growth Des., 2011, 11, 4904 | ZATLAJ03 | 2011 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF01 | 2010 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF02 | 2010 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF03 | 2010 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF04 | 2010 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF05 | 2010 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
R. D. L. Johnstone, M. Ieva, A. R. Lennie, H. McNab, E. Pidcock, J. E. Warren, S. Parsons, CrystEngComm, 2010, 12, 2520 | CARZIF06 | 2010 |
| 8 |
2-(1H-Imidazol-2-yl)pyridine |
To add a comment on this structure please contact us |
B. Tinant, C. Decamp, F. Robert, Y. Garcia, Z. Kristallogr. -New Cryst. Struct., 2010, 225, 729 | EHUKIC | 2010 |
| 8 |
2-(Methylamino)-1-(2-thienyl)ethanol |
Z' incorrectly given as 11.5 in the CSD based on a Z value of 46 in P212121. Hydrogen bonded alcohol-amine double chains. The structure is not discussed in the original paper. |
Fuqiang Ning, R. J. Anderson, D. E. Hibbs, P. W. Groundwater, Tetrahedron Lett., 2010, 51, 843 | HUYBIN | 2010 |
| 8 |
((1-Benzyl-5-phenyl-1H-1,2,3-triazol-4-yl)-(ethoxy)methylene)-(pentacarbonyl)-tungsten |
To add a comment on this structure please contact us |
A. Chakraborty, S. Dey, S. Sawoo, N. N. Adarsh, A. Sarkar, Organometallics, 2010, 29, 6619 | OJUZID | 2010 |
| 8 |
4-(2,3-Dihydroxypropoxy)benzonitrile |
Space group seems to be I2 with Z' = 2 |
A. A. Bredikhin, I. A. Litvinov, D. B. Krivolapov, B. R. Fattahov, A. T. Gubaidullin, F. S. Akhatova, Z. A. Bredikhina, J. Mol. Struct., 2010, 981, 163 | OKOXIW | 2010 |
| 8 |
Oxo-(acetylacetonato)-(2-(((2-(dimethylamino)ethyl)imino)methyl)-phenolato)-vanadium(iv) |
Likely to be Pca2(1) with Z' = 1 or 2 |
M. R. Maurya, A. Arya, A. Kumar, M. L. Kuznetsov, F. Avecilla, J. C. Pessoa, Inorg. Chem., 2010, 49, 6586 | RUXXEO | 2010 |
| 8 |
1,2-cyclohexanediammonium 18-crown-6 bis(2-thioxo-1,3-dithiole-4,5-dithiolato)-nickel acetonitrile solvate |
To add a comment on this structure please contact us |
Qiong Ye, T. Akutagawa, T. Endo, S. Noro, T. Nakamura, Ren-Gen Xiong, Inorg. Chem., 2010, 49, 8591 | XAFJEV | 2010 |
| 8 |
9H-Fluoren-9-ylmethanesulfonyl chloride |
To add a comment on this structure please contact us |
Y. Ishibashi, K. Miyata, M. Kitamura, Eur. J. Org. Chem., 2010, 4201 | XAVZUR | 2010 |
| 8 |
2,2-Dimethyl-5-(1-phenylcyclohexyl)-1,3-dioxane-4,6-dione |
Packing is dominated by C-H···O interactions |
E. Fillion, A. Wilsily, D. Fishlock, J. Org. Chem., 2009, 74, 1259 | FOPCOD | 2009 |
| 8 |
spiroleptosphol C |
Network held together by O-H···O bonds |
T. Murakami, T. Tsushima, N. Takada, K. Tanaka, K. Nihei, T. Miura, M. Hashimoto, Bioorg. Med. Chem., 2009, 17, 492 | HONBIW | 2009 |
| 8 |
3-Hydroxy-2-methyl-3-(2-phenylethyl)isoindolin-1-one |
To add a comment on this structure please contact us |
F. Hatoum, S. Gallagher, L. Baragwanath, J. Lex, M. Oelgemoller, Tetrahedron Lett., 2009, 50, 6335 | LUMJUZ | 2009 |
| 8 |
(3-(4-Chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(3-methylphenyl)methanone |
To add a comment on this structure please contact us |
Yujie Zhao, A. Bacher, B. Illarionov, M. Fischer, G. Georg, Qi-Zhuang Ye, P. E. Fanwick, S. G. Franzblau, Baojie Wan, M. Cushman, J. Org. Chem., 2009, 74, 5297 | MUMHAE | 2009 |
| 8 |
N-Nitroso-2,2,6,6-tetramethyl-4-piperidinone |
No 3D coordinates |
T. Olszewska, M. Gdaniec, T. Polonski, Tetrahedron: Asymm., 2009, 20, 1308 | RUPFIS01 | 2009 |
| 8 |
(R)-N,N-Diallyl-3-(diphenylphosphorylamino)-3-phenylpropanethioamide dichloromethane hexane solvate hydrate |
Several molecules and solvent molecules are disordered |
Y. Suzuki, R. Yazaki, N. Kumagai, M. Shibasaki, Angew. Chem., Int. Ed., 2009, 48, 5026 | SURYEK | 2009 |
| 8 |
Di-potassium benzene-1,2-disulfonate hydrate |
To add a comment on this structure please contact us |
G. B. Deacon, R. Harika, P. C. Junk, B. W. Skelton, A. H. White, J. Coord. Chem., 2009, 62, 3098 | TUJMER | 2009 |
| 8 |
2,2-Dimethyl-4-(2-(methylsulfanyl)ethyl)-3-(1-naphthoyl)-1,3-oxazolidin-5-one |
To add a comment on this structure please contact us |
M. Branca, S. Pena, R. Guillot, D. Gori, V. Alezra, C. Kouklovsky, J. Am. Chem. Soc., 2009, 131, 10711 | VUMXOR | 2009 |
| 8 |
trans-4-(Trifluoromethyl)cinnamic acid |
Phase transition at 132/131K on heating/cooling |
J. A. K. Howard, H. A. Sparkes, CrystEngComm, 2008, 10, 502 | COCMIR02 | 2008 |
| 8 |
Diaqua-(15-crown-5)-zinc(ii) dinitrate |
To add a comment on this structure please contact us. |
M. A. Siegler, Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr. ,Sect. B:Struct. Sci., 2008, 64, 738 | FETPEZ03 | 2008 |
| 8 |
7-Iodo-4-methyl-1-azatetracyclo[7.3.1.02,7.06,12]tridecan-11-ol |
To add a comment on this structure please contact us |
D. C. Beshore, A. B. Smith III, J. Am. Chem. Soc., 2008, 130, 13778 | GICVAQ01 | 2008 |
| 8 |
Diaqua-(15-crown-5)-magnesium(ii) dinitrate |
Also see FETPEZ03 and RAYTOB (Zn and Fe analogues). |
M. A. Siegler, Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2008, 64, 738 | JAWQIH03 | 2008 |
| 8 |
Chloro-bis(bis(diphenylphosphino)ethane)-(2-(4,5-diaza-9-fluorenylidene)ethenylidene)-ruthenium hexafluorophosphate hydrate |
Significant differences in conformations of ligands. Solvent poorly defined. |
M. P. Cifuentes, M. G. Humphrey, G. A. Koutsantonis, N. A. Lengkeek, S. Petrie, V. Sandford, P. A. Schauer, B. W. Skelton, R. Stranger, A. H. White, Organometallics, 2008, 27, 1716 | JIYPUD | 2008 |
| 8 |
4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl radical |
The structure consists of four distinct cis-cofacial dimers |
Hiu Fung Lau, P. C. Y. Ang, V. W. L. Ng, Seah Ling Kuan, Lai Yoong Goh, A. S. Borisov, P. Hazendonk, T. L. Roemmele, R. T. Boere, R. D. Webster, Inorg. Chem., 2008, 47, 632 | LIXGAB | 2008 |
| 8 |
(R)-2-((S)-(t-Butoxycarbonylamino)(2-chlorophenyl)methyl)-2-cyanocyclopentanone |
The eight independent molecules are arranged as four hydrogen bonded amide dimers |
A. Nojiri, N. Kumagai, M. Shibasaki, J. Am. Chem. Soc., 2008, 130, 5630 | MOCPUQ | 2008 |
| 8 |
(-)-(η2,η2-Cyclo-octa-1,5-diene)-(η5-(S)-2-(cyclopentadienyl)propan-1-ol)-rhodium(i) |
Two distinct O-H···O hydrogen bonded chains are found in the asymmetric unit |
R. Lai, F. Chanon, C. Roussel, M. Sanz, N. Vanthuyne, J. -C. Daran, J. Organomet. Chem., 2008, 693, 23 | NITNAG | 2008 |
| 8 |
Diaqua-(15-crown-5)-iron(ii) dinitrate |
Structure described in non-standard space group B21 for easier comparison with similar structures |
M. A. Siegler, Xiang Hao, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2008, 64, 738 | RAYTOB03 | 2008 |
| 8 |
2,2-aziridinedicarboxamide |
Redetermination of BIPCOS01, Z' = 16 |
M. Podsiadlo, K. F. Dziubek, A. Katrusiak, Acta Crystallogr., Sect. B: Struct. Sci., 2007, 63, 118 | BIPCOS02 | 2007 |
| 8 |
1-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)propanol |
Structure consists of two tetramers held together by OH···O bonds. Platon suggests possible solution in C2. |
I. Bichlmaier, M. Kurkela, T. Joshi, A. Siiskonen, T. Ruffer, H. Lang, B. Suchanova, M. Vahermo, M. Finel, J. Yli-Kauhaluoma, J. Med. Chem., 2007, 50, 2655 | BIVLAU | 2007 |
| 8 |
(-)-9a-Iodo-3-methyldecahydro-1H-1,5,8-(azanetriylmethano)benzo(7)annulen-6-ol |
To add a comment on this structure please contact us |
D. C. Beshore, A. B. Smith III, J. Am. Chem. Soc., 2007, 129, 4148 | GICVAQ | 2007 |
| 8 |
(S-N-(2-Oxybenzyl)histidinato)-(imidazole)-copper(ii) sesquihydrate |
Chiral metal complex with extensive hydrogen bonding |
Md. A. Alam, R. R. Koner, A. Das, M. Nethaji, M. Ray, Cryst. Growth Des., 2007, 7, 1818 | GIMFIS | 2007 |
| 8 |
bis(Tetraglyme-O,O',O'',O''',O'''')-barium(ii) bis(iodide) toluene solvate |
Platon suggests possible pseudo-symmetry. |
S. Mishra, L. G. Hubert-Pfalzgraf, E. Jeanneau, Polyhedron, 2007, 26, 66 | KEXLUV | 2007 |
| 8 |
(E)-N-(2-Amino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-4,4,4-trifluoro-3-methylbut-2-enamide |
Compound does show pseudo-symmetry but no suitable refinement in a monoclinic crystal system could be found. Molecules show conformational differences in rotation about the Ph ring. |
Fang-Li Zhang, W. B. Schweizer, Ming Xu, A. Vasella, Helv. Chim. Acta, 2007, 90, 521 | LEYZIZ | 2007 |
| 8 |
catena-(Tri-potassium tris(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo(8.8.8)hexacosane) bis(μ3-hepta-arsenic)-tri-potassium ethylenediamine solvate) |
No 3D coordinates. |
A. W. Castleman Junior, S. N. Khanna, A. Sen, A. C. Reber, Meichun Qian, K. M. Davis, S. J. Peppernick, A. Ugrinov, M. D. Merritt, Nano Lett., 2007, 7, 2734 | MOLXUH | 2007 |
| 8 |
(μ2-Pentan-3,3-dithiolato)-hexacarbonyl-di-iron |
No 3D coordinates |
J. Windhager, H. Gorls, H. Petzold, G. Mloston, G. Linti, W. Weigand, Eur. J. Inorg. Chem., 2007, 4462 | NINMUT | 2007 |
| 8 |
pentakis(μ3-(S)-Phenylalaninehydroximato-N,N',O,O,O')-aqua-(nitrato-O,O')-penta-copper(ii)-terbium(iii) dinitrate dihydrate |
No coordinates in CSD |
C. M. Zaleski, A. D. C. -V. Noord, J. W. Kampf, V. L. Pecoraro, Cryst. Growth Des., 2007, 7, 1098 | NIXJOU | 2007 |
| 8 |
(N-(2,6-Dimethylphenyl)-2-(1-(methylimino)ethyl)benzylideneamine-C,N)-(N-(2,6-dimethylphenyl)cyano)-(η5-pentamethyl-cyclopentadienyl)-rhodium perchlorate diethyl ether solvate |
No 3D coordinates |
J. Vicente, M. T. Chicote, I. Vicente-Hernandez, D. Bautista, Inorg. Chem., 2007, 46, 8939 | TIRGOR | 2007 |
| 8 |
4-(9-Methyl-2-(4-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrido(2,3-b)azepin-4-yl)benzonitrile |
To add a comment on this structure please contact us |
O. G. Schramm nee Dediu, T. Oeser, T. J. J. Muller, J. Org. Chem., 2006, 71, 3494 | CEJKEI | 2006 |
| 8 |
Tetramethylammonium 1,2-phenylene(squarate)(squaric acid) |
Polymorphic and twinned. PLATON shows a 97% fit in P21/c |
S. Yamamura, Y. Sugawara, H. Terao, M. M. Matsushita, T. Sugawara, Chem. Phys., 2006, 322, 392 | CIGHEG02 | 2006 |
| 8 |
Triphenylsilanol |
Four determinations |
M. Bolte, S. Nordschild, Private Communication, 2006 | JIPTIL03 | 2006 |
| 8 |
8-Dimethylaminonaphthalene-1-dimethylammonium orotate methanol solvate |
Orotic acid molecules form two hydrogen bonded tapes intercalated with stacks of proton sponges |
G. S. Nichol, W. Clegg, Cryst. Growth Des., 2006, 6, 451 | KEDZEZ | 2006 |
| 8 |
1,1,1,3,3,3-Hexafluoro-2-propanol |
Two distinct helical chains formed via O-H···O interactions |
A. Berkessel, J. A. Adrio, D. Huttenhain, J. M. Neudorfl, J. Am. Chem. Soc., 2006, 128, 8421 | REKJOH | 2006 |
| 8 |
Aqua-(2,2',2'',2'''-(1,4,7,10-tetra-azacyclododecane-1,4,7,10-tetrayl)-tetrakis(N-(1-phenylethyl)acetamide-O,O',O'',O'''))-ytterbium tribromide heptahydrate |
No 3D coordinates |
A. L. Thompson, D. Parker, D. A. Fulton, J. A. K. Howard, S. U. Pandya, H. Puschmann, K. Senanayake, P. A. Stenson, A. Badari, M. Botta, S. Avedano, S. Aime, Dalton Trans., 2006, 5605 | SIRDED01 | 2006 |
| 8 |
trans-1,4-bis(phenylethynyl)cyclohexane-1,4-diol |
Formed concomitantly in acetone with Z' = 2 polymorph (UCAYIH01) |
D. Das, R. Banerjee, R. Mondal, J. A. K. Howard, R. Boese, G. R. Desiraju, Chem. Commun., 2006, 555 | UCAYIH | 2006 |
| 8 |
trans-1,4-bis(phenylethynyl)cyclohexane-1,4-diol |
Neutron radiation version of UCAYIH |
D. Das, R. Banerjee, R. Mondal, J. A. K. Howard, R. Boese, G. R. Desiraju, Chem. Commun., 2006, 555 | UCAYIH02 | 2006 |
| 8 |
trans-1,4-bis(phenylethynyl)cyclohexane-1,4-diol |
recrystallised from melt |
D. Das, R. Banerjee, R. Mondal, J. A. K. Howard, R. Boese, G. R. Desiraju, Chem. Commun., 2006, 555 | UCAYIH03 | 2006 |
| 8 |
(R)-2-(bis(trifluoromethanesulfonato)methyl)-2'-hydroxy-1,1'-binaphthalene |
Likely to be P2(1)2(1)2(1) with Z' = 2 |
A. Hasegawa, Y. Naganawa, M. Fushimi, K. Ishihara, H. Yamamoto, Org. Lett., 2006, 8, 3175 | VENPOU | 2006 |
| 8 |
4-(p-(Methylthio)phenyl)-2,6-diphenylphosphinine |
It is likely that some molecules are disordered however transformation to an ordered solution in Pnam is not possible. |
C. Muller, M. Lutz, A. L. Spek, D. Vogt, J. Chem. Cryst., 2006, 36, 869 | VEVNUG | 2006 |
| 8 |
Perdeutero-4-methylpyridine-N-oxide |
To add a comment on this structure please contact us. |
F. Damay, A. Carretero-Genevrier, A. Cousson, J. Rodriguez-Carvajal, W. Van Beek, F. Fillaux, Acta Crystallogr. ,Sect. B:Struct. Sci., 2006, 62, 627 | ZZZVCO03 | 2006 |
| 8 |
Methyl 2-(9H-carbazol-9-yl)benzoate |
To add a comment on this structure please contact us |
H. McNab, L. Crawford, S. Parsons, D. Messenger, Private Communication, 2005 | CARZIF | 2005 |
| 8 |
(2R,3S)-N-(p-Toluenesulfonyl)-3-methylaspartic acid dimethyl ester |
Redetermination of ILIFAK |
K. M. Goodenough, W. J. Moran, P. Raubo, J. P. A. Harrity, J. Org. Chem., 2005, 70, 207 | ILIFAK01 | 2005 |
| 8 |
2,6-diethyl-N-trihydroxysilyl-N-trimethylsilylaniline toluene solvate |
Octameric cage formed linked by O-H···O hydrogen bonds |
G. Prabusankar, R. Murugavel, R. J. Butcher, Organometallics, 2005, 24, 2124 | LAKMIU | 2005 |
| 8 |
diaqua-(15-crown-5)-iron(ii) dinitrate |
Structure described in non-standard space group B21 for easier comparison with similar structures |
Xiang Hao, M. A. Siegler, S. Parkin, C. P. Brock, Cryst. Growth Des., 2005, 5, 2225 | RAYTOB | 2005 |
| 8 |
3,5-bis(3',4',5'-Trimethoxyphenyl)pyrazole ethyl acetate solvate |
To add a comment on this structure please contact us |
R. LeBlanc, J. Dickson, T. Brown, M. Stewart, H. N. Pati, D. VanDerveer, H. Arman, J. Harris, W. Pennington, H. L. Holt Junior, M. Lee, Bioorg. Med. Chem., 2005, 13, 6025 | VATRAK | 2005 |
| 8 |
(1S,2S,4S,5S)-2,5-bis((p-Toluenesulfonyl)amino)bicyclo(2.2.1)heptane |
Resolved chiral species. Racemate has Z' = 1 (AYIGIY) |
A. Berkessel, M. Schroder, C. A. Sklorz, S. Tabanella, N. Vogl, J. Lex, J. M. Neudorfl, J. Org. Chem., 2004, 69, 3050 | AYIGEU | 2004 |
| 8 |
(1S,2S,4R)-4-Isopropenyl-1-methyl-1,2-cyclohexanediol |
Resolved chiral species |
C. M. Byrne, S. D. Allen, E. B. Lobkovsky, G. W. Coates, J. Am. Chem. Soc., 2004, 126, 11404 | BIHHAC | 2004 |
| 8 |
Dichloro-(ethylenediamine)-bis((2-methoxyethyl)diphenylphosphine)-ruthenium(ii) |
To add a comment on this structure please contact us |
K. Eichele, C. Nachtigal, S. Jung, H. A. Mayer, E. Lindner, M. Strobele, Magn. Reson. Chem., 2004, 42, 807 | FESZEJ | 2004 |
| 8 |
Quinoline-2(1H)-thione |
Four independent hydrogen bonded dimers formed |
P. Kus, P. G. Jones, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2004, 60, o865 | MAJSOG | 2004 |
| 8 |
2-(Phenylselanyl)-(1,3,2)dioxaphosphinane-2-sulfide |
To add a comment on this structure please contact us |
C. Lopin, G. Gouhier, A. Gautier, S. R. Piettre, J. Org. Chem., 2003, 68, 9916 | ARUMIJ | 2003 |
| 8 |
Methoxymethylsilane |
For Z' = 2 reinterpretation see BAZHAM01 (R. E. Marsh, Acta Cryst., Sect. B, 2005, 61, 359) |
N. W. Mitzel, Z. Naturforsch., B: Chem. Sci., 2003, 58, 759 | BAZHAM | 2003 |
| 8 |
(2R,3S)-N-(p-toluenesulfonyl)aspartic acid dimethyl ester |
Resolved chiral species |
W. J. Moran, K. M. Goodenough, P. Raubo, J. P. A. Harrity, Org. Lett., 2003, 5, 3427 | ILIFAK | 2003 |
| 8 |
(η5-2,3,5,6-Tetramethylsemiquinone)-tricarbonyl-manganese |
Chains held together by O-H···O hydrogen bonds |
Moonhyun Oh, J. A. Reingold, G. B. Carpenter, D. A. Sweigart, J. Organomet. Chem., 2003, 687, 78 | UMOYAW | 2003 |
| 8 |
4-Chloro-1,2,3,5-dithiadiazolyl radical |
gamma polymorph. Z' = 4 (IFULUQ and IFULUQ03) and Z' = 2 (IFULUQ01) polymorphs also known |
A. D. Bond, D. A. Haynes, C. M. Pask, J. M. Rawson, J. Chem. Soc., Dalton Trans., 2002, 2522 | IFULUQ02 | 2002 |
| 8 |
Triphenylsilanol |
Four determinations |
K. F. Bowes, C. Glidewell, J. N. Low, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2002, 58, o409 | JIPTIL02 | 2002 |
| 8 |
L-Valyl-L-phenylalanine trihydrate |
Z' = 1 dihydrate structure also known (MOBYAD) |
C. H. Gorbitz, Acta Crystallogr., Sect. B: Struct. Sci., 2002, 58, 512 | MOBYEH | 2002 |
| 8 |
bis(?3-1,1,1-tris(Oxymethyl)ethane)-tri-tin(ii) |
To add a comment on this structure please contact us. |
T. J. Boyle, J. M. Segall, T. M. Alam, M. A. Rodriguez, J. M. Santana, J. Am. Chem. Soc., 2002, 124, 6904 | OFIXEG | 2002 |
| 8 |
bis((2-Aminomethyl)pyridine)-lead(ii) diperchlorate |
Re-interpretation of RAQPII as an ionic species in a superlattice |
J. M. Harrowfield, H. Miyamae, B. W. Skelton, A. A. Soudi, A. H. White, Aust. J. Chem., 2002, 55, 661 | RAQPII01 | 2002 |
| 8 |
cis-Dichloro-(1,1'-bis(7-diphenylphosphino-2,5-dioxaheptyl)ferrocenyl)-platinum |
No significant geometry differences in independent molecules |
E. Lindner, U. Kehrer, M. Steimann, M. Strobele, J. Organomet. Chem., 2001, 630, 266 | ICOBEH | 2001 |
| 8 |
rac-gamma-2-cis,6-Diphenyl-trans-3-ethylpiperidin-4-one oxime |
Two enantiomers, four independent molecules per enantiomer. Homochiral pairs linked by hydrogen bonding |
S. Kumar, K. Subramanian, A. M. M. Schreurs, J. Kroon, T. Steiner, J. Chem. Cryst., 2001, 31, 411 | LUMYAT | 2001 |
| 8 |
Dimethyl ether hydrate clathrate |
All species are disordered. Crystal is twinned. |
K. A. Udachin, C. I. Ratcliffe, J. A. Ripmeester, Angew. Chem., Int. Ed., 2001, 40, 1303 | OBILOA | 2001 |
| 8 |
tetrakis(bis(Trimethylsilyl)methyl)diarsine |
All molecules in syn,anti conformation |
S. L. Hinchley, C. A. Morrison, D. W. H. Rankin, C. L. B. Macdonald, R. J. Wiacek, A. Voigt, A. H. Cowley, M. F. Lappert, G. Gundersen, J. A. C. Clyburne, P. P. Power, J. Am. Chem. Soc., 2001, 123, 9045 | QUQQUO | 2001 |
| 8 |
N-Methyl thioacetyl-alanine |
No 3D coordinates |
T. T. Tran, A. W. Burgess, H. Treutlein, J. Perich, J. Pept. Res., 2001, 58, 67 | WULFAK | 2001 |
| 8 |
2-(1,2,3,5-Diselenadiazol-4-yl)-5-cyanofuran |
4 dimers linked by Se···Se interactions |
J. F. Britten, O. P. Clements, A. W. Cordes, R. C. Haddon, R. T. Oakley, J. F. Richardson, Inorg. Chem., 2001, 40, 6820 | YIFHUQ | 2001 |
| 8 |
bis(4-Pentyl-2,6-bis(5-aminopyrazin-2-yl)pyridine-N,N',N'')-iron bis(tetrafluoroborate) acetonitrile diethyl ether solvate |
To add a comment on this structure please contact us |
U. Ziener, E. Breuning, J. -M. Lehn, E. Wegelius, K. Rissanen, G. Baum, D. Fenske, G. Vaughan, Private Communication, 2000 | QITQEP | 2000 |
| 8 |
1,2,3,3a,4,5,6,7,11c,11d-Decahydro-5aH-2,5-methanobenzo(c)cyclopropa(ef)phenanthren-5a-ol |
To add a comment on this structure please contact us. |
E.Cheung, M.R.Netherton, J.R.Scheffer, J.Trotter, Org. Lett., 2000, 2, 77 | WUDPEQ | 2000 |
| 8 |
tris((?2-1-Methoxy-3-phenyl-2-azapropen-1,2-diyl)-gold(i)) |
To add a comment on this structure please contact us. |
A. L. Balch, M. M. Olmstead, J. C. Vickery, Inorg. Chem., 1999, 38, 3494 | HOLFUJ | 1999 |
| 8 |
Naphtho(2,1-b)naphtho(1',2':4,5)furo(3,2-d)furan |
Two molecules disordered. Helical structure formed. |
F. C. Krebs, A. Faldt, N. Thorup, K. Bechgaard, CrystEngComm, 1999, 1, 21 | QAHQEV | 1999 |
| 8 |
bis(2-(Naphthyl)-5-(2-phenoxy)-1,3,4-oxadiazole-N,O)-beryllium |
No 3D coordinates |
Nan-Xing Hu, M. Esteghamatian, Shuang Xie, Z. Popovic, Ah-Mee Hor, Beng Ong, Suning Wang, Adv. Mater., 1999, 11, 1460 | QOHBEU | 1999 |
| 8 |
1-Octylthymine |
No 3D coordinates |
N. Tohnai, Y. Inaki, M. Miyata, N. Yasui, E. Mochizuki, Y. Kai, J. Photopolym. Sci. Technol., 1998, 18, 59 | FOPQOQ02 | 1998 |
| 8 |
Potassium phenylmethanide tetrahydrofuran solvate |
Polymeric species mediated by potassium ions |
M. Westerhausen, W. Schwarz, Z. Naturforsch., B: Chem. Sci., 1998, 53, 625 | GIXWEP | 1998 |
| 8 |
((S,S)-2,3-bis(Diphenylphosphino)butane)-((R)-1,1'-bi-2-naptholato)-platinum(ii) diethyl ether solvate monohydrate |
Resolved chiral species |
N. M. Brunkan, P. S. White, M. R. Gagne, Angew. Chem., Int. Ed., 1998, 37, 1579 | NUGPOU | 1998 |
| 8 |
bis(3,11,17,18-Tetra-azatricyclo(11.3.1.15,9)octadeca-1(17),5,7,9(18),13,15-hexaene-N3,N11,N17,N18)-cobalt(ii) diperchlorate |
Non-merohedral twin composed of four components |
W. O. Koch, J. T. Kaiser, H. -J. Kruger, Chem. Commun., 1997, 2237 | RUHRIV | 1997 |
| 8 |
4-(Dimethylamino)-3-cyanobiphenyl |
To add a comment on this structure please contact us |
I. G. Voigt-Martin, Z. X. Zhang, D. H. Yan, A. Yakimanski, R. Matschiner, P. Kramer, C. Glania, D. Schollmeyer, R. Wortmann, N. Detzer, Colloid Polym. Sci., 1997, 275, 18 | XEMWER | 1997 |
| 8 |
3-Ethoxy-1,2,4-dithiazolidin-5-one |
To add a comment on this structure please contact us |
Lin Chen, T. R. Thompson, R. P. Hammer, G. Barany, J. Org. Chem., 1996, 61, 6639 | NAHNAL | 1996 |
| 8 |
tris((μ2-Hydrido)-tetracarbonyl-technetium) |
To add a comment on this structure please contact us |
R. Alberto, R. Schibli, P. A. Schubiger, U. Abram, R. Hubener, H. Berke, T. A. Kaden, Chem. Commun., 1996, 1291 | TASDAS | 1996 |
| 8 |
t-Butylamine hydrate clathrate |
To add a comment on this structure please contact us |
D. Staben, D. Mootz, J. Inclusion Phenom. Mol. Recog. Chem., 1995, 22, 145 | RABJOP | 1995 |
| 8 |
4,4,5,5-Tetramethyl-4,5-dihydro-1H-imidazol-1-oxy-3-oxide |
To add a comment on this structure please contact us. |
Y. Hosokoshi, M. Tamura, K. Nozawa, S. Suzuki, M. Kinoshita, H. Sawa, R. Kato, Synth. Met., 1995, 71, 1795 | TOLKEK | 1995 |
| 8 |
5-Acetyl-1,2,4,5,6,6a,7,8,8a,8b-decahydro-5,8b-epoxy-4-oxo-cyclopent(hi)indolizine |
Only one molecule in CSD file |
A. Padwa, D. L. Hertzog, W. R. Nadler, M. H. Osterhout, A. T. Price, J. Org. Chem., 1994, 59, 1418 | LICROE | 1994 |
| 8 |
1,4-Dimethyl-6-hydroxy-6-(bicyclo(2.2.1)hept-2-en-2-yl) bicyclo(2.2.2)oct-2-ene |
No 3D coordinates |
J. Doyon, Wei He, L. A. Paquette, J. Org. Chem., 1994, 59, 2033 | PIVZAV | 1994 |
| 8 |
(5,11,17,23-Tetra-t-butyl-25,26,27,28-tetraoxycalix(4)arene)-potassium |
No 3D coordinates |
F. Hamada, K. D. Robinson, G. W. Orr, J. L. Atwood, Supramol. Chem., 1993, 2, 19 | NASXUA | 1993 |
| 8 |
Carbon tetrafluoride |
To add a comment on this structure please contact us |
A. N. Fitch, J. K. Cockcroft, Z. Kristallogr., 1993, 203, 29 | TFMETH04 | 1993 |
| 8 |
Triphenylgermanium hydroxide |
To add a comment on this structure please contact us. |
G. Ferguson, J. F. Gallagher, D. Murphy, T. R. Spalding, C. Glidewell, H. D. Holden, Acta Crystallogr. ,Sect. C:Cryst. Struct. Commun., 1992, 48, 1228 | JIPTOR01 | 1992 |
| 8 |
Triphenylsilanol |
Four determinations |
H. Puff, K. Braun, H. Reuter, J. Organomet. Chem., 1991, 409, 119 | JIPTIL | 1991 |
| 8 |
Triphenylgermanol |
Two determinations |
H. Puff, K. Braun, H. Reuter, J. Organomet. Chem., 1991, 409, 119 | JIPTOR | 1991 |
| 8 |
tris(2,2'-Bipyridyl)-iron bis(dichloro-dinitroso-iron) |
Only seven independent molecules in CSD file |
H. Li Kam Wah, M. Postel, F. Tomi, L. Mordenti, D. Ballivet-Tkatchenko, F. Dahan, F. Urso, New J. Chem., 1991, 15, 629 | JOHXOT | 1991 |
| 8 |
4-Methyl-1,2,3,5-dithiadiazole |
Arranged in 4 independent dimers |
A. J. Banister, M. I. Hansford, Z. V. Hauptman, S. T. Wait, W. Clegg, J. Chem. Soc., Dalton Trans., 1989, 1705 | JATNEX | 1989 |
| 8 |
4,6-Dimethyl-1,2,3-triazine-2-imine |
For Z' = 4 reinterpretation see KECRIT01 (R. E. Marsh, Acta Cryst., Sect. B, 1999, 55, 931) |
K. Yamaguchi, A. Ohsawa, T. Itoh, C. Kawabata, Yakugaku Zasshi(Jap. )(J. Pharm. Soc. Jpn. ), 1988, 108, 1040 | KECRIT | 1988 |
| 8 |
cis-Diammine-(deoxy-cytidyl-guanosyl-guanosyl-diphosphate-N7(2),N7(3))-platinum(ii) hydrate |
No 3D coordinates |
G. Admiraal, J. L. van der Veer, R. A. G. de Graaff, J. H. J. den Hartog, J. Reedijk, J. Am. Chem. Soc., 1987, 109, 592 | FEDFID01 | 1987 |
| 8 |
Cholesterol ethanol solvate |
Triclinic form |
H. -S. Shieh, L. G. Hoard, C. E. Nordman, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1982, 38, 2411 | CHOLEU01 | 1982 |
| 8 |
tetrakis(N-(p-Tolyl)-tetrachlorophthalimide) o-xylene |
Coordinates only given for one of the eight species |
F. H. Herbstein, M. Kaftory, Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., 1981, 157, 1 | BAVVEZ | 1981 |
| 8 |
Cholesterol monohydrate |
Monohydrate form of Cholesterol. Z' = 16 (CHOLES03) form also known. |
B. M. Craven, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1979, 35, 1123 | CHOLES20 | 1979 |
| 8 |
Cholesterol |
The Z' = 16 (CHOEST11, CHOEST21) polymorphs are also known. |
H. -S. Shieh, L. G. Hoard, C. E. Nordman, Nature (London), 1977, 267, 287 | CHOEST10 | 1977 |
| 8 |
Di(phenylethynyl) mercury |
No 3D coordinates |
J. Trotter, Can. J. Chem., 1962, 40, 1218 | ZZZKFC | 1962 |
| 8 |
beta-Dihydrofucosterol |
No 3D coordinates |
J. D. Bernal, D. Crowfoot, I. Fankuchen, Philos. Trans. R. Soc. London, Ser. B., 1940, 239, 135 | ZZZNWY | 1940 |
| 9 |
4,5,11,12,17,18-hexaethynylpentacyclo[6.6.6.0$2,7!.0$9,14!.0$15,20!]icosa-2,4,6,9,11,13,15,17,19-nonaene acetone unknown solvate hydrate |
Awkward triangular shape |
S.-Y.Bae, Dongwook Kim, Dongbin Shin, J.Mahmood, In-Yup Jeon, Sun-Min Jung, Sun-Hee Shin, Seok-Jin Kim, Noejung Park, Myoung Soo Lah, Jong-Beom Baek, Nat.Commun., 2017, 8, 1599 | KEKVII | 2017 |
| 9 |
(2,2'-{(2,2-dimethylpropane-1,3-diyl)bis[(azanylylidene)methylylidene]}bis(phenolato))-platinum |
Stacked dimers. Molecule deviates from planarity |
M.Azam, S.Al-Resayes, S.M.Soliman, R.Kruszynski, A.Trzesowska-Kruszynska, Zahid Khan, J.Photochem.Photobiol.,B, 2017, 176, 150 | PELFIY | 2017 |
| 9 |
selenourea |
Complex network of Se•••H-N hydrogen bonds and Se•••Se contacts in either P31 or P32 enantiomorphs (SEUREA03 / SEUREA04). |
Zhipu Luo, Z.Dauter, Plos One, 2017, 12, e0171740 | SEUREA03 | 2017 |
| 9 |
bis(acetato)-(1,5,8a',9',10',11a'-hexahydro-8'H-spiro[2,4-benzodioxepine-3,11'-pentaleno[1,2-b][1,10]phenanthroline])-palladium acetone solvate |
Awkward shoaed chiral system |
M.Tamura, H.Ogata, Yuu Ishida, Y.Takahashi, Tetrahedron Lett., 2017, 58, 3808 | WEHBAP | 2017 |
| 9 |
4,4'-bis(di-isopropylamino)biphenyl |
Dumbbell shaped molecule. |
Denan Wang, M.R.Talipov, M.V.Ivanov, R.Rathore, J.Am.Chem.Soc., 2016, 138, 16337 | PAHDEK | 2016 |
| 9 |
bis(2,9-Dimethyl-1,10-phenanthroline)-(pyrazino(2,3-f)(1,10)phenanthroline)-ruthenium bis(hexafluorophosphate) acetone diethyl ether solvate |
Surprising unbalanced set (ratio 4:5) of resolvable enantiomers |
E.Wachter, E.C.Glazer, S.Parkin, C.P.Brock, Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat., 2016, 72, 223 | UKEBUJ | 2016 |
| 9 |
tris(mu-2-t-butyl-6-(diphenylphosphino)-4-methylphenolato)-(iodo)-uranium(iv)-nickel(0) benzene solvate |
P1. The individual molecules show slightly different orientations and could not be refined using a space group of higher symmetry although the unit cell appears hexagonal. Isostructural with VAFVIK. |
J.A.Hlina, J.R.Pankhurst, N.Kaltsoyannis, P.L.Arnold, J.Am.Chem.Soc., 2016, 138, 3333 | VAFVEG | 2016 |
| 9 |
tris(mu-2-t-butyl-6-(diphenylphosphino)-4-methylphenolato)-iodo-uranium(iv)-platinum(0) benzene solvate |
P1. The individual molecules show slightly different orientations and could not be refined using a space group of higher symmetry although the unit cell appears hexagonal. Isostructural with VAFVEG |
J.A.Hlina, J.R.Pankhurst, N.Kaltsoyannis, P.L.Arnold, J.Am.Chem.Soc., 2016, 138, 3333 | VAFVIK | 2016 |
| 9 |
1-(3,7-Di-t-butyl-5H-5λ5-dibenzo[b,d]borol-5-yl)-1λ5-pyridine n-hexane solvate |
To add a comment on this structure please contact us |
A. Hubner, M. Diefenbach, M. Bolte, H. -W. Lerner, M. C. Holthausen, M. Wagner, Angew. Chem., Int. Ed., 2012, 51, 12514 | ZERWIE | 2012 |
| 9 |
4,4'-(4,5-Difluoro-1,2-phenylene)bis(2-methylbut-3-yn-2-ol) |
To add a comment on this structure please contact us. |
C. M. Kane, T. B. Meyers, Xin Yu, M. Gerken, M. Etzkorn, Eur. J. Org. Chem., 2011, 2969 | OQAZUC | 2011 |
| 9 |
(3-Bromo-5-(4-chlorophenyl)-4-cyano-2-(trifluoromethyl)-1H-pyrrol-1-yl)methyl cyclopentylmethyl ethanedioate |
To add a comment on this structure please contact us. |
Yu Zhao, Chunhui Mao, Yongqiang Li, Pengxiang Zhang, Zhiqiang Huang, Fuchun Bi, Runqiu Huang, Qingmin Wang, J. Agric. Food Chem., 2008, 56, 7326 | BOMLIZ | 2008 |
| 9 |
methyl-(2,2':6',2''-terpyridine)-nickel(i) |
In CSD as Z' = 9 but only 6 molecules in asymmetric unit, consistent with density. Weakly diffracting data, authors say structure was refined "in lowest symmetry space group possible". Platon suggests C2/c as an alternative space group. |
T. J. Anderson, G. D. Jones, D. A. Vicic, J. Am. Chem. Soc., 2004, 126, 8100 | ABAXIL | 2004 |
| 9 |
(μ2-η7,η7-Heptafulvalenediyl)-bis((η5-cyclopentadienyl)-vanadium) diradical |
8 independent molecules plus two half-molecules. All 10 compounds have a different twist between heptafulvalenediyl molecules. |
C. Elschenbroich, J. Plackmeyer, K. Harms, O. Burghaus, J. Pebler, Organometallics, 2003, 22, 3367 | VARPAG | 2003 |
| 9 |
7-Methoxy-1H-indazole |
Molecules arranged as three independent trimers |
J. Sopkova-de O. Santos, V. Collot, S. Rault, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2002, 58, o688 | IHESIX | 2002 |
| 9 |
alpha-Cembrene 1,3-diol |
No 3D coordinates |
M. J. Begley, L. Crombie, D. McNamara, D. F. Firth, S. Smith, P. C. Bevan, Phytochemistry, 1988, 27, 1695 | KAVJOG01 | 1988 |
| 9 |
11-Bromoundecanol |
Z' = 1 subcell noted but Z' = 9 cell preferred after examination of structure and reflection data. |
L. Rosen, A. Hybl, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1972, 28, 610 | BUNDEC10 | 1972 |
| 9 |
Selenourea |
T = 173K |
J. S. Rutherford, C. Calvo, Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., 1969, 128, 229 | SEUREA | 1969 |
| 9 |
Selenourea |
T = Room Temperature |
J. S. Rutherford, C. Calvo, Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., 1969, 128, 229 | SEUREA01 | 1969 |
| 9 |
n-Propylamine clathrate hydrate |
No 3D coordinates |
R. K. McMullan, T. H. Jordan, G. A. Jeffrey, J. Chem. Phys., 1967, 47, 1218 | PROAMH02 | 1967 |
| 9 |
Lithium t-butoxide t-butyl lithium complex |
No 3D coordinates |
K. Huml, Czech. J. Phys., 1965, 15, 699 | ZZZKEY | 1965 |
| 9.5 |
2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid |
To add a comment on this structure please contact us |
V. Lopez-Mejias, J. W. Kampf, A. J. Matzger, J. Am. Chem. Soc., 2012, 134, 9872 | FPAMCA13 | 2012 |
| 10 |
t-butyl 2-(propan-2-yl)hydrazine-1-carboxylate |
Hydrogen bonded hydrazine with bulky end groups |
V.Kumar, S.Shova, V.Maurel, G.Novitchi, C.Train, Eur.J.Inorg.Chem., 2018, 517 | YEQQET | 2018 |
| 10 |
t-butyl 4'-cyano-5'-methyl-2,6'-dioxo-2'-phenyl-5-(trifluoromethoxy)spiro[indole-3,3'-piperidine]-1(2H)-carboxylate |
S.Jayakumar, K.Louven, C.Strohmann, K.Kumar, Angew.Chem.,Int.Ed., 2017, 56, 15945 | HEVSOT | 2017 | |
| 10 |
catena-[bis((mu-5-chlorobenzimidazolyl)-(mu-imidazolyl)-(mu-hydroxo))-zinc(ii) unknown solvate] |
Complex ZIF coordination polymer |
Jingjing Yang, Yue-Biao Zhang, Qi Liu, C.A.Trickett, E.Gutierrez-Puebla, M.Angeles Monge, Hengjiang Cong, A.Aldossary, Hexiang Deng, O.M.Yaghi, J.Am.Chem.Soc., 2017, 139, 6448 | NEHMOF | 2017 |
| 10 |
ethyl 4-(9H-carbazol-9-yl)benzoate |
The superstructure can be reduced to a hypothetical averaged parent structure in Pbcn with Z' = 1, displaying fourfold disorder. Variable-temperature data collection shows that there is no phase transition between the disordered supercell and the hypothetical parent structure; supercell reflections persist up to 350 K. The authors propose that the disorder and variation in torsion angles result from frustrated close-packing and necessitate a unit cell with a high Z' number. |
L.M.Lifshits, V.Singh, M.Zeller, J.K.Klosterman, Acta Crystallogr.,Sect.C:Cryst.Struct.Chem., 2016, 72, 901 | AYAVUT | 2016 |
| 10 |
tetrakis(isonicotinonitrile)-bis(isothiocyanato)-nickel(ii) |
Private communication. Interdigitated cyanopyridine ligands. |
W.Clegg, R.W.Harrington, CSD Communication(Private Communication), 2016 | UBUBOL | 2016 |
| 10 |
ethyl 3-oxo-6-((triisopropylsilyl)oxy)-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylate |
Bulky molecule with flat and globular regions. Not discussed in paper. |
M.E.Abbasov, B.M.Hudson, D.J.Tantillo, D.Romo, J.Am.Chem.Soc., 2014, 136, 4492 | BOGPUK | 2014 |
| 10 |
t-Butyl (3R)-3-methyl-4-(5-((4-(methylsulfonyl)benzyl)oxy)pyrimidin-2-yl)piperazine-1-carboxylate |
To add a comment on this structure please contact us |
J. S. Scott, A. M. Birch, K. J. Brocklehurst, A. Broo, H. S. Brown, R. J. Butlin, D. S. Clarke, O. Davidsson, A. Ertan, K. Goldberg, S. D. Groombridge, J. A. Hudson, D. Laber, A. G. Leach, P. A. MacFaul, D. McKerrecher, A. Pickup, P. Schofield, P. H. Svensson, P. Sorme, J. Teague, J. Med. Chem., 2012, 55, 5361 | SEMPEH | 2012 |
| 10 |
(η5-N-(Trihydridoboryl)pyrrole)-(η5-pentamethyl-cyclopentadienyl)-iron |
To add a comment on this structure please contact us |
T. J. Brunker, B. T. Roembke, J. A. Golen, A. L. Rheingold, Organometallics, 2011, 30, 2272 | HAFHED | 2011 |
| 10 |
bis(Pyridine-2,5-dicarboxylato)-tin(ii) |
To add a comment on this structure please contact us |
A. C. Wibowo, M. D. Smith, H. -C. zur Loye, Solid State Sciences, 2011, 13, 607 | OMUQUJ | 2011 |
| 10 |
2-(9-Anthrylethynyl)-1-methyl-1H-benzimidazole |
To add a comment on this structure please contact us. |
Junpei Yuasa, T. Ogawa, T. Kawai, Chem. Commun., 2010, 46, 3693 | WURHOH | 2010 |
| 10 |
(-)-Alloaromadendrane-4beta,10beta-diol |
Large network of O-H···O interactions |
Zhi-Hua Sun, Chang-Qi Hu, Jin-Yi Wang, Chin. J. Chem., 2008, 26, 831 | KONDIB | 2008 |
| 10 |
2-(Methyl(phenyl)amino)nicotinic acid |
A total of 17 crystallographically independent conformations across four polymorphs of this substance. Forms I, II, III and IV are Z' = 1, 3, 3 and 10, respectively. Structures are based on a hydrogen bonded acid-to-pyridine catemer. In form IV each enantiomeric pair forms a one-dimensional chain along the c axis, resulting in five unique chain packing motifs in the unit cell. The high Z' behaviour is attributed to packing issues and the directionality of hydrogen bonded chains. |
Sihui Long, S. Parkin, M. Siegler, C. P. Brock, A. Cammers, Tonglei Li, Cryst. Growth Des., 2008, 8, 3137 | MOTNUF03 | 2008 |
| 10 |
8-bromo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one |
Molecules arranged in five hydrogen bonded chains, each containing two independent molecules |
I. T. Raheem, P. S. Thiara, E. A. Peterson, E. N. Jacobsen, J. Am. Chem. Soc., 2007, 129, 13404 | COVBEV | 2007 |
| 10 |
N''-cyano-N,N-diisopropylguanidine |
Five-fold helices formed |
Xiang Hao, Jing Chen, A. Cammers, S. Parkin, C. P. Brock, Acta Crystallogr., Sect. B: Struct. Sci., 2005, 61, 218 | FEXCAN | 2005 |
| 10 |
(η2-N,N-bis(2-(2-Pyridyl)ethyl)-2-(phenyl)ethylamine)-copper(i) perchlorate |
Columns formed along b-axis. |
T. Osako, Y. Tachi, M. Doe, M. Shiro, K. Ohkubo, S. Fukuzumi, S. Itoh, Chem. -Eur. J., 2004, 10, 237 | ASAPEP | 2004 |
| 10 |
Diaqua-(15-crown-5)-copper(ii) dinitrate |
PLATON checks show missed symmetry and suggest a lower symmetry (and hence lower Z') solution in P21/c. See GAVPEY02 and GAVPEY03 for Z' = 5 redeterminations |
F. Dejehet, R. Debuyst, Yun Yi Wei, J. -P. Declercq, B. Tinant, J. Chim. Phys. Phys. -Chim. Biol., 1987, 84, 975 | GAVPEY | 1987 |
| 10 |
2-Pyridyl-iodo-tetrahydrofuran-magnesium |
No 3D coordinates |
H. H. Paradies, Naturwissenschaften, 1974, 61, 168 | QQQGGJ | 1974 |
| 10 |
1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane |
No 3D coordinates |
Wild, Brandenberger, Helv. Chim. Acta, 1946, 29, 1024 | OPDDTE01 | 1946 |
| 10.5 |
1$2!,2$2!:2$5!,3$2!-terthiophene |
R.Resel, A.O.F.Jones, G.Schweicher, R.Fischer, N.Demitri, Y.H.Geerts, IUCrJ, 2018, 5, 304 | EYUXEB02 | 2018 | |
| 10.5 |
4-((E)-2-(4-Methylsulfanylphenyl)-1-ethenyl)pyridinium perchlorate benzene solvate hydrate |
Z given as 21 in P-1. There are 11 independent cation positions but with extensive disorder leading to partial occupancy. The materials is a salt with included benzene. |
L. G. Kuz'mina, A. I. Vedernikov, S. K. Sazonov, N. A. Lobova, A. V. Churakov, E. Kh. Lermontova, J. A. K. Howard, M. F. Alfimov, S. P. Gromov, Izv. Akad. Nauk SSSR, Ser. Khim. (Russ. )(Russ. Chem. Bull. ), 2011, 1708 | GEKMIU | 2011 |
| 10.5 |
catena-[(μ4-biphenyl-3,3',4,4'-tetracarboxylato)-bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-di-cobalt(ii)] |
Database error. The asymmetric unit of the 2D coordination polymer, [Co2(C16H6O8)(C14H14N4)2]n, contains one Co2+ ion, half of a biphenyl-3,3',4,4'-tetracarboxylate (bptc) anion lying about an inversion centre and one 1,4-bis(imidazol-1-ylmethyl)benzene (bix) ligand. Z' = 1 in P21/n. |
Zi-Liang Wang, Ming-Xue Li, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2010, 66, m311 | KAHPIU | 2010 |
| 11 |
N,N',N'',N'''-tetraethylpyrazine-2,3,5,6-tetracarboxamide |
Stacks with free base molecules rotated by about 60° from the one below. Possible link to gel formation. |
J.Lohrman, H.Telikepalli, T.S.Johnson, T.A.Jackson, V.W.Day, K.Bowman-James, Inorg.Chem., 2016, 55, 5098 | OSUTIH | 2016 |
| 11 |
(Acetonitrile)-dichloro-(nitrosyl)-bis(trimethylphosphine)-rhenium |
Some disorder in molecules. Structure held together by C-H···O and C-H···Cl hydrogen bonds |
H. Jacobsen, H. W. Schmalle, A. Messmer, H. Berke, Inorg. Chim. Acta, 2000, 306, 153 | WODCOH | 2000 |
| 11 |
Poly(m-methylstyrene) |
Helical, isotactic covalent polymer with 11 monomer units in the asymmetric unit. Fibre diffraction data. |
P. Corradini, P. Ganis, J. Polym. Sci., 1960, 43, 311 | WIMTOB | 1960 |
| 12 |
2-(iodoethynyl)pyridine |
Chun-Fai Ng, Hak-Fun Chow, T.C.W.Mak, Angew.Chem.,Int.Ed., 2018, 57, 4986 | SEVSUK01 | 2018 | |
| 12 |
5-((t-butyl(dimethyl)silyl)oxy)-4-ethynyl-4-(1-fluorohexyl)-1,2,3-oxathiazepane 2,2-dioxide |
Partial ordering of the positional disorder of a high temperature phase to give a low temperature phase with Z′ = 12. Sulfonamide hydrogen bonding. |
A.I.Vinokur, A.Yakovenko, Lu Liu, J.M.Schomaker, I.A.Guzei, Cryst.Growth Des., 2017, 17, 5984 | ADUNOF01 | 2017 |
| 12 |
(2,6-bis((diisopropylphosphino)methyl)-4-hydroxyphenyl)-dicarbonyl-hydrido-iron |
Rigid structure with two hydrogen bonded phenol-derived coordination complex hexameric superstructures |
A.Dauth, U.Gellrich, Y.Diskin-Posner, Y.Ben-David, D.Milstein, J.Am.Chem.Soc., 2017, 139, 2799 | TAYVAT | 2017 |
| 12 |
(N-t-butylcyano)-chloro-(2-(pyridin-2-yl)phenyl)-platinum |
Stacked Pt…Pt dimers with falt and bulky regions. The paper referenced concerns trans-[Co(NCNMe2)2(H2O)4]X2 2H2O. Error? |
E.V.Andrusenko, A.S.Novikov, G.L.Starova, N.A.Bokach, Inorg.Chim.Acta, 2016, 447, 142 | EYONEN | 2016 |
| 12 |
7-(4-isopropylphenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde |
Tilted / modulated hydrogen bonded chain, rigid molecule. |
A.Lozynskyi, S.Golota, B.Zimenkovsky, D.Atamanyuk, A.Gzella, R.Lesyk, Phosphorus,Sulfur,Silicon,Relat.Elem., 2016, 191, 1245 | IVUBUY | 2016 |
| 12 |
bis(4-(pyrrolidin-1-yl)pyridine)-silver nitrate hemihydrate |
Cylindrical arrangement with half of the nitrates bridging between cylinders, and disordered water and the remaining nitrate ions inside the cylinders. The authors provide an interesting analysis in which the structure is described as intertwined three-connected networks, as each silver complex connects to two other complexes through –CH2–CH2–⋯–CH2–CH2– “embraces” and to one other complex through bridging nitrate anions. The topology of these 3D-nets is the common srs net (the (10,3)-a (Wells) or SrSi2 net. |
M.A.M.Abu-Youssef, S.M.Soliman, M.M.Sharaf, J.H.Albering, L.Ohrstrom, CrystEngComm, 2016, 18, 1883 | LALZIK | 2016 |
| 12 |
(N,N-bis(1-phenylethyl)-16,22-bis(1,1':3',1''-terphenyl-5'-yl)-18,20-dioxa-19-phosphahexacyclo[19.2.2.2$14,17!.0$2,7!.0$6,9!.0$8,13!]heptacosa-1(23),2,4,6,8,10,12,14,16,21,24,26-dodecaen-19-amine)-chloro-gold heptane solvate |
No 3D coordinates and the structure is not discussed in the paper. |
Zhiyong Wu, K.Isaac, P.Retailleau, J.-F.Betzer, A.Voituriez, A.Marinetti, Chem.-Eur.J., 2016, 22, 3278 | NAHBEG | 2016 |
| 12 |
4,8,12,14,14-pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-dien-16-ol |
Cyclic tetramers of a bulky secondary alcohol, consistent with the work of Brock and Duncan, Chem. Mater., 1994, 6, 1307. |
M.P.Rahelivao, M.Gruner, T.Lubken, D.Islamov, O.Kataeva, H.Andriamanantoanina, I.Bauer, H.-J.Knolker, Org.Biomol.Chem., 2016, 14, 989 | RUYZES | 2016 |
| 12 |
ammonium 5,5-dimethoxy-1,3,2-dioxaphosphinan-2-olate 2-oxide |
Four polymorphs with Z' = 12, 6, 6 and 1. Chair - skew ring flipping, which takes place during single crystal to single crystal phase transitions, results in various populations of skew and chair conformers in different phases. |
K.A.Slepokura, Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat., 2016, 72, 117 | VIVSAV02 | 2016 |
| 12 |
6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one |
Pharmaceutical Ciclopirox. There are Z' = 12 and Z' = 1 forms along with kinetic, transient intermediate disordered forms. The reversible transitions involve a subtle compromise between phenomena related to molecular disorder, cooperative release of strains induced by cooling, and structural reorganization associated with topotactic changes in crystal lattice and symmetry. |
C.Brandel, Y.Cartigny, N.Couvrat, M.Ermelinda S.Eusebio, Joao Canotilho, S.Petit, G.Coquerel, Chem.Mater., 2015, 27, 6360 | LUXYOU | 2015 |
| 12 |
6'-Methoxy-10-methyl-10,11-dihydrocinchonan-9-ol benzene solvate monohydrate |
Complex solvate. Molecule has flat and bulky regions. Not discussed in the paper. |
H.T.Dao, Chao Li, Q.Michaudel, B.D.Maxwell, P.S.Baran, J.Am.Chem.Soc., 2015, 137, 8046 | RUKTOI | 2015 |
| 12 |
2,3-diphenylacrylic acid propan-2-ol solvate |
Solvate based on bulky carboxylic acid dimers. Not discussed in the publication. |
Xueqiang Wang, M.Nakajima, R.Martin, J.Am.Chem.Soc., 2015, 137, 8924 | SUPWUX | 2015 |
| 12 |
4-(3,5-dichlorophenyl)-1,2,3,5-dithiadiazolyl radical |
cis-cofacial π*–π* dimers with intra-dimer S⋯S contacts in the range 3.1–3.3 Å. |
C.P.Constantinides, D.J.Eisler, A.Alberola, E.Carter, D.M.Murphy, J.M.Rawson, CrystEngComm, 2014, 16, 7298 | DIXNEF | 2014 |
| 12 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
See HEBGOM |
A. Yamamoto, T. Hamada, I. Hisaki, M. Miyata, N. Tohnai, Angew. Chem., Int. Ed., 2013, 52, 1709 | HEBGOM02 | 2013 |
| 12 |
Cyclopropanecarboxylic acid isonicotinamide |
Centrosymmetric isonicotinamide dimers terminated by hydrogen bonding to the cyclopropane carboxylic acid. The cyclopropyl group renders the assembly non-planar and imparts a dumbell shape. The high Z' seems to arise from the stacking of these dumbells in such a way as to accomodate the cycloproply substituents. The 'awkward' shape of the assembly is reminiscent of the 'wheel-and-axel' host design paradigm. |
A. Lemmerer, M. A. Fernandes, New J. Chem., 2012, 36, 2242 | ACOMOW | 2012 |
| 12 |
bis(η5-Pentamethylcyclopentadienyl)-iron trifluoromethanesulfonate |
Superstructure low temperature phase in P1 derived from high symmetry Z' = 0.5 high temperature form in Pmn21. The authors state that "the superstructure originates from the different conformers of the cations and canting of the OTf anions. The conformational differences among the cations as well as the polar orientation of the anion resulted in the non-centrosymmetric space group." |
S. Hamada, Y. Funasako, T. Mochida, D. Kuwahara, K. Yoza, J. Organomet. Chem., 2012, 713, 35 | DECYAN01 | 2012 |
| 12 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
A salt with included mesitylene with a porous diamondoid architecture, exhibiting small distortions in the π-π stacking arrangement. |
A. Yamamoto, S. Uehara, T. Hamada, M. Miyata, I. Hisaki, N. Tohnai, Cryst. Growth Des., 2012, 12, 4600 | HEBGOM | 2012 |
| 12 |
Triphenylmethanaminium anthracene-2-sulfonate mesitylene solvate |
See HEBGOM |
A. Yamamoto, S. Uehara, T. Hamada, M. Miyata, I. Hisaki, N. Tohnai, Cryst. Growth Des., 2012, 12, 4600 | HEBGOM01 | 2012 |
| 12 |
4-(But-3-en-1-ylamino)-3-nitrobenzoic acid |
Planar centrosymmetric dimers with a non-planar tail that stack in an offset fashion. |
S. N. Narendra Babu, A. S. Abdul Rahim, H. Osman, S. R. Jebas, H. -K. Fun, Acta Crystallogr., Sect. E: Struct. Rep. Online, 2009, 65, o1560 | POWLOD | 2009 |
| 12 |
2,4,6-Trinitro-1-bromobenzene |
δ polymorph For other polymorphs see ZZZVXQ03, ZZZVXQ05 and ZZZVXQ06 |
D. A. Parrish, J. R. Deschamps, R. D. Gilardi, R. J. Butcher, Cryst. Growth Des., 2008, 8, 57 | ZZZVXQ02 | 2008 |
| 12 |
2,4,6-Trinitro-1-bromobenzene |
γ polymorph. For other polymorphs see ZZZVXQ02, ZZZVXQ03 and ZZZVXQ06 |
D. A. Parrish, J. R. Deschamps, R. D. Gilardi, R. J. Butcher, Cryst. Growth Des., 2008, 8, 57 | ZZZVXQ05 | 2008 |
| 12 |
1-(cyclohex-2-en-1-yl(hydroxy)methyl)-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione |
Independent molecules are conformationally different |
M. Stadler, J. Bitzer, A. Mayer-Bartschmid, H. Muller, J. Benet-Buchholz, F. Gantner, H. -V. Tichy, P. Reinemer, K. B. Bacon, J. Nat. Prod., 2007, 70, 246 | LEZQUD | 2007 |
| 12 |
4-Ethynyl-N,N-dimethylaniline |
High temperature alpha polymorph |
A. S. Batsanov, J. C. Collings, R. M. Ward, A. E. Goeta, L. Porres, A. Beeby, J. A. K. Howard, J. W. Steed, T. B. Marder, CrystEngComm, 2006, 8, 622 | GENLAN | 2006 |
| 12 |
4-Ethynyl-N,N-dimethylaniline |
Low temperature beta polymorph |
A. S. Batsanov, J. C. Collings, R. M. Ward, A. E. Goeta, L. Porres, A. Beeby, J. A. K. Howard, J. W. Steed, T. B. Marder, CrystEngComm, 2006, 8, 622 | GENLAN01 | 2006 |
| 12 |
N,N'-bis(n-Butyl)-1H-pyrrole-2,5-dithiocarboxamide |
Low temperature form. Undergoes phase transition at 195.8 K to Z' = 1 form (LANXOO) |
L. Dobrzycki, T. Zielinski, J. Jurczak, K. Wozniak, J. Phys. Org. Chem., 2005, 18, 864 | LANXOO02 | 2005 |
| 12 |
trans-13-Azabicyclo(10.2.0)tetradecan-14-one |
No 3D coordinates. Authors note that the structure was indexed in an orthorhombic cell but has been refined in P1 |
L. Fabian, A. Kalman, G. Argay, G. Bernath, Z. Cs. Gyarmati, Chem. Commun., 2004, 2114 | ABUDAD02 | 2004 |
| 12 |
4,4-Diphenyl-2,5-cyclohexadienone |
Z' = 2 (HEYHUO03) and Z' = 4 (HEYHUO01) polymorphs also known |
V. S. S. Kumar, A. Addlagatta, A. Nangia, W. T. Robinson, C. K. Broder, R. Mondal, I. R. Evans, J. A. K. Howard, F. H. Allen, Angew. Chem., Int. Ed., 2002, 41, 3848 | HEYHUO02 | 2002 |
| 12 |
Diphenylphosphanyl(trimethylsilyl)imine |
PLATON suggests an alternative space group, Pn21a with Z' = 6 (see Brock et al., Acta Cryst B., 2005, B61, 218) |
S. Wingerter, M. Pfeiffer, F. Baier, T. Stey, D. Stalke, Z. Anorg. Allg. Chem., 2000, 626, 1121 | QAJDAG | 2000 |
| 12 |
Trimesic acid hydrate |
Trimesic acid acts as host and guest. The length of a pair of trimesic acid guests corresponds to five layers of the trimesic acid hydrate host hence the structure can be formulated as two repeats of {(C9H6O6).H2O}5.C9H6O6.} |
F. H. Herbstein, R. E. Marsh, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1977, 33, 2358 | TRIMES10 | 1977 |
| 13 |
catena-[bis((mu-5-methylbenzimidazolyl)-(mu-5-bromobenzimidazolyl))-zinc(ii) unknown solvate] |
Complex ZIF coordination polymer |
Jingjing Yang, Yue-Biao Zhang, Qi Liu, C.A.Trickett, E.Gutierrez-Puebla, M.Angeles Monge, Hengjiang Cong, A.Aldossary, Hexiang Deng, O.M.Yaghi, J.Am.Chem.Soc., 2017, 139, 6448 | NEHKUJ | 2017 |
| 14 |
4-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-3H-1,2,3,5-dithiadiazol-3-yl radical |
Radical interaction, gamma polymorph of GEQLUM05 from subimation |
Y.Beldjoudi, Rui Sun, A.Arauzo, J.Campo, R.J.Less, J.M.Rawson, Cryst.Growth Des., 2017, 18, 179 | GEQLUM04 | 2017 |
| 14 |
1,3,5-tris(4-Carboxyphenyl)benzene unknown solvate |
Similar stacking arrangement to OGUROZ |
C.A.Zentner, H.W.H.Lai, J.T.Greenfield, R.A.Wiscons, M.Zeller, C.F.Campana, O.Talu, S.A.FitzGerald, J.L.C.Rowsell, Chem.Commun., 2015, 51, 11642 | OGUROZ01 | 2015 |
| 15 |
pentadecakis(tris(mu2-4-Methylpyrazolato-N,N')-tri-gold(I)) dichloromethane hexane methanol solvate dihydrate |
The structure has a total of some 45 crystallographically unique gold(I) centres arranged into planar trimmers with significant Au...Au interactions, with each pair of gold(I) center bridged by a 4-methylpyrazolato anion. There are 15 crystallographically unique trimers with their packing dictated by further interplanar Au...Au interactions and the intercalation of the methyl substitutents within the concave groove of adjacent trimers to give offset stacks arranged not quite orthogonally. Based on reasonable aurophilic interactions Five gold trimers form independent units, while two exist as dimers of trimmers. An additional eight trimers, (with symmetry equivalents) constitute a 16-membered aggregate of trimers. In this way fairly close packing of the structure is achieved, with small lattice voids being occupied by a number of solvent molecules, namely a molecule of hexane, dichloromethane, methanol and two water molecules for every fifteen timeric complexes. The hexane is disordered. This unusual stoichiometry leads to a formal Z′ value of just 1, however a Z′ = 15 assignment has considerable justification and is arguably more useful. |
G. Yang and R. G. Raptis, Inorg. Chem., 2003, 42, 261 | MUTLAO | 2003 |
| 15 |
Sodium t-butoxide |
Later reinterpreted as Z' = 5 (NABUOX10) and Z' = 0.33 (NABUOX11) |
T. Greiser, E. Weiss, Chem. Ber., 1977, 110, 3388 | NABUOX | 1977 |
| 16 |
4-(2,2,4-trimethyl-3,4-dihydro-2H-1-benzothiopyran-4-yl)phenol isopropanol solvate |
Molecule with flat and bulky sections. Isostructural with Se analogue VANJAY. |
C.S.Frampton, K.K.Ketuly, H.B.M.Ali, A.H.S.Azizan, J.H.Gall, D.D.MacNicol, CrystEngComm, 2017, 19, 2653 | VANFUO | 2017 |
| 16 |
4-(2,2,4-trimethyl-3,4-dihydro-2H-1-benzoselenopyran-4-yl)phenol isopropanol solvate |
Molecule with flat and bulky sections. Isostructural with sulfur analogue VANFUO. |
C.S.Frampton, K.K.Ketuly, H.B.M.Ali, A.H.S.Azizan, J.H.Gall, D.D.MacNicol, CrystEngComm, 2017, 19, 2653 | VANJAY | 2017 |
| 16 |
beta-Est-2C hydrate |
Protein-like β3 -peptide bundles possessing unique quaternary structures and catalytic activity. Active site triad composed of residues from at least two strands of the octameric bundle structure. |
P.S.P.Wang, J.B.Nguyen, A.Schepartz, J.Am.Chem.Soc., 2014, 136, 6810 | JIZFAB | 2014 |
| 16 |
(2-(1-Aminoethyl)-5-methoxyphenyl)-chloro-(pyridine)-palladium |
The 16 independent molecules all differ in minor conformational respects. The compound also forms a solvate with acetonitrile with Z′ = 2. The existence of high Z′ forms and low Z′ solvates/cocrystals is a recurring theme and the two extremes represent alternative solutions to the molecular packing problem. There are a number of conformations of similar energy and the quasiracemic nature of the material may also be a contributing factors (however high Z′ structures tend to be formed by more rigid molecules). |
B. Braun, I. Kalf, U. Englert, Chem. Commun., 2011, 47, 3846 | UNADOD | 2011 |
| 16 |
Sodium 1,2-benzisothiazol-3(2H)-onate 1,1-dioxide hydrate |
Structure consists of "regular" and "irregular" regions held together by hydrogen bonds and Na···O interactions. The asymmetric unit contains 16 saccarinates (15 ordered and one disordered over two sites), 16 sodium ions (13 ordered and 3 disordered over two sites each) and 30 water molecules. 26 water molecules are ordered and all but one hydrogen atoms of these ordered water molecules were found from the Fourier map. The remaining four water molecules are disordered over two sites each. While the water oxygen atoms could be assigned with ease, only 1/4 of the hydrogen atoms could be found from the Fourier map.Also reported at same time by: P. Naumov, G. Jovanovski, O. Grupce, B. Kaitner, A. D. Rae, and S. W. Ng, Angew. Chem., Int. Ed., 2005, 44, 1251 |
R. Banerjee, P. M. Bhatt, M. T. Kirchner, G. R. Desiraju, Angew. Chem., Int. Ed., 2005, 44, 2515 | LANBOS | 2005 |
| 16 |
2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexa-azatetracyclo(5.5.0.03,11.05,9)dodecane |
No 3D coordinates reported. Cell length a is 102Å, structure is reported as Monoclinic ε polymorph therefore possibly there is an incorrect cell reported/determined? |
N. I. Golovina, A. V. Raevsky, N. V. Chukanov, B. L. Korsunsky, L. O. Atovmyan, S. M. Aldoshin, Ross. Khim. Zhurnal(Russ. )(Russ. Chem. J. ), 2004, 48, 41-1 | PUBMUU21 | 2004 |
| 16 |
Cholesterol |
See CHOEST01 |
Leh-Yeh Hsu, J. W. Kampf, C. E. Nordman, Acta Crystallogr. ,Sect. B:Struct. Sci., 2002, 58, 260 | CHOEST21 | 2002 |
| 16 |
(15-Crown-5) triaqua-dichloro-dioxo-uranium |
Cocrystal with Z'' = 32 comprising hydrogen-bonded chains on uranyl aqua complexes and [15]crown-5. The directionality of the multiple hydrogen bonding interactions is apparently incompatible with a more symmetrical structure and the asymmetric unit comprises four separate hydrogen bonded chains, each with four independent repeat units. |
H. Hassaballa, J. W. Steed, P. C. Junk, Chem. Commun., 1998, 577 | NIKZUC | 1998 |
| 16 |
15-Crown-5 triaqua-dichloro-dioxo-uranium |
See NIKZUC for preliminary communication of this structure. |
H. Hassaballa, J. W. Steed, P. C. Junk, M. R. J. Elsegood, Inorg. Chem., 1998, 37, 4666 | NIKZUC01 | 1998 |
| 16 |
Tricarbonyl-((1-4-eta)-6-exo-cyano-2-(phenylsulfonyl)-1,3-cyclohexadiene)-iron |
No 3D coordinates |
Shang-Shing P. Chou, Shih-Hsien Liu, J. Organomet. Chem., 1998, 555, 227 | PUTKOE | 1998 |
| 16 |
2,2-Aziridine-dicarboxamide |
Layer structure. Lower Z' polymorph known (BIPCOS, Z' = 4).For recent redetermination in P-1, Z' = 8 see BIPCOS02 |
S. Bruckner, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1982, 38, 2405 | BIPCOS01 | 1982 |
| 16 |
Cholesterol |
Other Z' = 16 (CHOEST21) and Z' = 8 (CHOEST02, CHOEST10, CHOEST20) polymorphs also known |
L. -Y. Hsu, C. E. Nordman, ACA, Ser. 2, 1981, 9, 35a | CHOEST01 | 1981 |
| 16 |
Cholesterol monohydrate |
Early reported structure of cholesterol monohydrate. See CHOLES20 for Z' = 8 form and discussion of pseudosymmetry (B. M. Craven, Acta Crystallogr., Sect. B, 1979, 35, 1123) . A Z' = 4 form (CHOLES05) was also reported in 1963 (H. Bogren, K. Larsson, Biochim. Biophys Acta 1963, 75, 65-69) suggesting that significant twinning may invalidate this Z' = 16 form. |
J. D. Bernal, Philos.Trans. R. Soc. London, Ser. A , 1940, 239, 135 | CHOLES03 | 1940 |
| 18 |
N-[2-(1,1-dimethylsiletan-3-yl)-2-(3-fluorophenyl)ethyl]methanesulfonamide |
Z.J.Garlets, H.M.L.Davies, Org.Lett., 2018, 20, 2168 | KETTUB | 2018 | |
| 18 |
2,4,6-Trinitro-1-bromobenzene |
ε polymorph. For other polymorphs see ZZZVXQ02, ZZZVXQ03 and ZZZVXQ05. All forms have Z′ values of three or more. All of the structures have a common “triad” motif, consisting of C-H...O hydrogen bonds and N-O...Br dipole-induced interactions. The differences between the polymorphs comes down to the orientation of sheet-to-sheet alignments. All five polymorphs were isolated concomitantly from the same vial provided by the Naval Surface Warfare Center and subsequent attempts to repeat the crystallization have only resulted in the Z′=3 alpha-form, suggesting perhaps a role of impurities in influencing the polymorphic outcome. |
D. A. Parrish, J. R. Deschamps, R. D. Gilardi, R. J. Butcher, Cryst. Growth Des., 2008, 8, 57 | ZZZVXQ06 | 2008 |
| 18 |
(bis(tris(t-Butoxy)silyloxy)boryloxy)-bis(?5-cyclopentadienyl)-methyl-zirconium |
Each molecule in asymmetric unit has a unique conformation or orientation. |
K. L. Fujdala, A. G. Oliver, F. J. Hollander, T. D. Tilley, Inorg. Chem., 2003, 42, 1140 | HUVLAL | 2003 |
| 19 |
Poly((S),(R)-5-methyl-1-heptene) |
No 3D coordinates. Polymer. The Z' value relates to covalent monomers within a repeat of the covalent polymer strand. |
P. Corradini, E. Martuscelli, G. Montagnoli, V. Petraccone, Eur. Polym. J., 1970, 6, 1201 | HUGDOC | 1970 |
| 20 |
N'-(2-(4-Bromophenyl)-2-vinylcyclobutylidene)-4-methylbenzenesulfonohydrazide |
Resolved chiral substance in P1. The sulfonamide groups are linked together by an 8-membered hydrogen bonded ring twisted slightly out of planarity by steric demands and by the formation of a bifurcated donor interaction to an additional molecule. There are also CH···pi interactions and some disorder of the vinyl group. Very minor conformational variations suggest that the optimization of hydrogen bonding and close packing considerations is a starting place to explain the very high Z′ value. |
F. Kleinbeck, F. D. Toste, J. Am. Chem. Soc., 2009, 131, 9178 | VUJBAE | 2009 |
| 20.5 |
(1R,6R,10R,11S,12R)-6-Acetoxy-10,12,16-trihydroxydolaballa-3Z,7E-diene |
Likely to be significant errors in the original paper regarding unit cell length and crystal class. Z' is likely to be either 1 or 1.5. |
T. Hashimoto, M. Toyota, H. Koyama, A. Kikkawa, M. Yoshida, M. Tanaka, S. Takaoka, Y. Asakawa, Tetrahedron Lett., 1998, 39, 579 | BEWZEI | 1998 |
| 24 |
bis-(N-(2,6-bis(pyrazol-1-yl)pyrid-4-yl)acetamide)-iron(ii) bis(tetrafluoroborate) acetone solvate |
The sample exhibits an abrupt, hysteretic spin-crossover at T½ = 137 K (ΔT½ = 14 K) that proceeds to ca 50 % completeness. This is associated with a crystallographic phase transition, from phase 1 (P21/c, Z' = 1) to phase 2 (P21, Z' = 24). |
I.C.Berdiell, R.Kulmaczewski, O.Cespedes, M.A.Halcrow, Chem.-Eur.J., 2018, 24, 5055 | VIFXEQ | 2018 |
| 24 |
(η2,η2-cyclo-octa-1,5-diene)-((S)-2-(1,1-diphenylethyl)-4-(2-(bis(2-methylphenyl)phosphino)ethyl)oxazoline-N,P)-iridium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate |
The structure is not discussed in the original publication but the authors report that the unit cell can be reduced to a higher symmetry Z′ = 1 sub-cell. This description does not account for some relatively weak interlayer reflections that give rise to the much higher Z′ supercell and it is likely that the structure is an incommensurately modulated version of the high symmetry structure. |
D.-R. Hou, J. Reibenspies, T. J. Colacot, K. Burgess, Chem. Eur. J., 2001, 7, 5391 | IDOSID | 2001 |
| 32 |
Trimethyl-tin hydroxide |
83 helical superstructure arising from short Sn···O interactions. No 3D coordinates but the published paper contains a careful study on possible sub-cells. A reinvestigation has been published including a P21/c low temperature pahse with Z' = 1: Cryst. Growth Des. 2011, 11, 820. A more recent reinvestigation finds a commensurately modulated P212121 structure for the low temperature phase consistent with the P212121 form in the CSD as a private communication (TMESNH01). Dey, S.; Schönleber, A.; Mondal, S.; van Smaalen, S. Superspace description of trimethyltin hydroxide at T = 100 K. Z. Krystallogr. 2016, 231, 427. The authors find no evidence for the P21/c form. In 2018 a reinvestigation of the Z' = 32 high temperature phase showed it to be Z' = 4 . Dey, S.; Schonleber, A.; Mondal, S.; Ali, S. I.; van Smaalen, S. Role of Steric Hindrance in the Crystal Packing of Z '=4 Superstructure of Trimethyltin Hydroxide. Cryst. Growth Des. 2018, 18, 1394. The earlier Z' = 32 determinations may be incorrect because "[s]tructured diffuse scattering observed at the positions of presumed superlattice reflections along a* and b* might have appeared as Bragg reflections". Alternatively, the Z' = 32 form could be different polymorph. It seems likely that the Z' = 4 superspace description is correct although it is noteworthy that the crystals in the latter publication were stored for an extended time at 250K. |
N. Kasai, K. Yasuda, R. Okawara, J. Organomet. Chem., 1965, 3, 172 | TMESNH | 1965 |
| 56 |
1,3,5-tris(4-Carboxyphenyl)benzene unknown solvate |
Z' world record holder. See also Z' = 14 polymorph OGUROZ01. 8-fold polycatenated assembly of (6,3) hexagonal nets formed through hydrogen bonds and π-stacking. The stack length seems to depend on the included solvent. |
C.A.Zentner, H.W.H.Lai, J.T.Greenfield, R.A.Wiscons, M.Zeller, C.F.Campana, O.Talu, S.A.FitzGerald, J.L.C.Rowsell, Chem.Commun., 2015, 51, 11642 | OGUROZ | 2015 |