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
Yearsort ascending
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
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

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
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
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
6

bis(mu-N,N-bis(trimethylsilyl)amino)-(N,N,N',N'-tetramethylcyclohexane-1,2-diamine)-di-sodium

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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
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
6

(R)-3-(4-methoxyphenoxy)propane-1,2-diol

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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
8

3-(morpholin-4-yl)-2-phenylimidazo[1,2-a]pyridine

Molecule has flat and bulky regions

S.Mondal, S.Samanta, S.Jana, A.Hajra, J.Org.Chem., 2017, 82, 4504 VAWPUH 2017
6

(4-(pyrrolidin-1-yl)benzylidene)malononitrile

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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
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
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
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

acetamidinium triiodo-tin(ii)

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C.C.Stoumpos, Lingling Mao, C.D.Malliakas, M.G.Kanatzidis, Inorg.Chem., 2017, 56, 56 JANPIA 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

N-(1,3-benzothiazol-2-yl)acetamide monohydrate

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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

(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
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
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
5

1,1-dicyclohexyl-N-phenylphosphinecarboxamide

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R.J.Schwamm, J.R.Fulton, M.P.Coles, C.M.Fitchett, Dalton Trans., 2017, 2068 PAMTEF 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
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
8

5,7-dihydroxy-2-phenyl-4H-chromen-4-one

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Renu Chadha, Y.Bhalla, A.Nandan, K.Chadha, M.Karan, J.Pharm.Biomed.Anal., 2017, 134, 361 IYIWIY 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
6

4-(1-cyclohexylethyl)-4H-1,2,4-triazole

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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

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
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
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
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
6

dichloro-(1,1,1-trimethyl-N-(2,4,6-tri-t-butylphenyl)silanamido)-bismuth

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Christian Hering-Junghans, Axel Schulz, M.Thomas, A.Villinger, Dalton Trans., 2016, 45, 6053 MABLAF01 2016
6

(S)-2-aminohexanoic acid

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C.H.Gorbitz, P.Karen, M.Dusek, V.Petricek, IUCrJ, 2016, 3, 341 LNLEUC11 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

2,5-diphenyl-1,3,4-oxadiazole

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T.Kotipalli, V.Kavala, A.Konala, D.Janreddy, Chu-Wei Kuo, Ching-Fa Yao, Adv.Synth.Catal., 2016, 2652 NAXDIZ05 2016
6

1,3-benzothiazol-2(3H)-iminium chloride monohydrate

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N.Hojnik, M.Kristl, G.Ferk, A.Golobic, M.Turel, Z.Jaglicic, M.Drofenik, J.Coord.Chem., 2016, 69, 1484 OPIZIY 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
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

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

N-(2-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-amine

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A.Mariappan, K.Rajaguru, N.M.Chola, S.Muthusubramanian, N.Bhuvanesh, J.Org.Chem., 2016, 81, 6573 UTIFIO 2016
6

tetrakis(mu-n-butylsulfido)-dodecacarbonyl-tetra-manganese

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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
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
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
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
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
5

bis(5-amino-4H-1,2,4-triazol-1-ium) 1H,1'H-5,5'-bitetrazole-1,1'-diolate hydrate

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Yu Shang, Bo Jin, Rufang Peng, Zhicheng Guo, Qiangqiang Liu, Jun Zhao, Qingchun Zhang, RSC Advances, 2016, 6, 48590 OMOBUP 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
5

(SP)-bis(8-hydroxycyclopenta(a)indenyl)-iron dichloromethane solvate

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Chris Nottingham, H.Muller-Bunz, P.J.Guiry, Angew.Chem.,Int.Ed., 2016, 55, 11115 ORIMAF 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

(R)-3,3'-Dimethoxy-5,5'-spirobi[dibenzo[b,d]silole]

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M.Murai, Y.Takeuchi, K.Yamauchi, Y.Kuninobu, K.Takai, Chem.-Eur.J., 2016, 22, 6048 BEYKAT01 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
8

4-(4-Trifluormethylphenyl)-1,2,3,5-dithiadiazolyl radical

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R.T.Boere, CrystEngComm, 2016, 18, 2748 LIXGAB01 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
6

(1-(5-t-Butyl-2-oxyphenyl)-3-((pyridin-2-yl)methyl)imidazol-2-ylidene)-chloro-palladium chloroform solvate

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Dandan Yang, Yungang Tang, Haibin Song, Baiquan Wang, Organometallics, 2016, 35, 1392 EMEPIX 2016
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
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

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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

n-butyl(trimethyl)ammonium pentacyanocyclopentadienide

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Yuya Bando, Y.Haketa, T.Sakurai, W.Matsuda, Shu Seki, H.Takaya, H.Maeda, Chem.-Eur.J., 2016, 22, 7842 ENOJAU 2016
8

4,5,6,7-Tetrafluoro-2,1,3-benzoselenadizole

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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
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
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
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
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
6

N,N'-bis(pyridin-4-yl)imidoformamide tetrahydrofuran solvate

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Wayne Hsu, Xiang-Kai Yang, P.M.Chhetri, J.-D.Chen, Polymers, 2016, 8, 137 JAQQAW 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
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
10

tetrakis(isonicotinonitrile)-bis(isothiocyanato)-nickel(ii)

Private communication. Interdigitated cyanopyridine ligands.

W.Clegg, R.W.Harrington, CSD Communication(Private Communication), 2016 UBUBOL 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
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
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
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
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
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
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
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
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
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
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
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

(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
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

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
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
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
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
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
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

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
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
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

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
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

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
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
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

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
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
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
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
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
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
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
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
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

(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

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
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
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
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
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
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
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

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
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
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

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
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
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
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

(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
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
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

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
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
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
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
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
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
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
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
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

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
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
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
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
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

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
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
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
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
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
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
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
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

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

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
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
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

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
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
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
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
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
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
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
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
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

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
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
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
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
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
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

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
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
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
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

o-Toluic acid

To add a comment on this structure please contact us

F.R.Fronczek, CSD Communication(Private Communication), 2014 OTOLIC04 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

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

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
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
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
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
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
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-(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

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
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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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
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
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

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
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
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

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
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

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
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
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
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
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

22-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
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

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
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

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

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
5

2-2-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
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

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
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
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
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

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
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
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

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

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

(+)-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
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

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

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
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
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
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
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
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

5-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
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
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
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
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
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
5.33

3-1,1,1-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
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
5

3-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
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
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
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
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
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
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
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

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
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
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
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-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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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

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

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
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
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
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
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
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
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
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
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
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
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
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
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
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

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

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
5

22-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
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
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
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
10

5-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
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
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
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
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
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

(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
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
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
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
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
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

4-(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
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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
8

4-(2,3-Dihydroxypropoxy)benzonitrile

To add a comment on this structure please contact us

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
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
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

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
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
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
8

Oxo-(acetylacetonato)-(2-(((2-(dimethylamino)ethyl)imino)methyl)-phenolato)-vanadium(iv)

To add a comment on this structure please contact us

M. R. Maurya, A. Arya, A. Kumar, M. L. Kuznetsov, F. Avecilla, J. C. Pessoa, Inorg. Chem., 2010, 49, 6586 RUXXEO 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

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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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
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

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
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

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

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

(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

(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

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
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
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
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
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
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
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
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
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

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
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
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
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
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
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
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)-(μ255-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
5

catena-((μ2-4,4'-bipyridine)-dichloro-zinc(ii))

No 3D coordinates.

Yiming Xie, Jihuai Wu, J. Chem. Res., 2009, 38 UBOCIX08 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

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

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
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
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
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
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
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
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
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
5

2-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
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
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
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
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
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
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
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
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
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
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
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
8

(-)-(η22-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
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
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
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
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
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
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
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
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
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
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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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
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

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
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

2-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
5

Caffeine

Anhydrous Β-caffeine polymorph determined from powder diffraction

C. W. Lehmann, F. Stowasser, Chem. -Eur. J., 2007, 13, 2908 NIWFEE03 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
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
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
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
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
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
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
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
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
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
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
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
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

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

(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

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

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

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
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
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
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
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
8

(R)-2-(bis(trifluoromethanesulfonato)methyl)-2'-hydroxy-1,1'-binaphthalene

To add a comment on this structure please contact us.

A. Hasegawa, Y. Naganawa, M. Fushimi, K. Ishihara, H. Yamamoto, Org. Lett., 2006, 8, 3175 VENPOU 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
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
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
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
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
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
4.5

Lithium t-butanolate

To add a comment on this structure please contact us

K. M. Fromm, Private Communication, 2004 ZZZJZU02 2004
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
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
10

2-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
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
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
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
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
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

4-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
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
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
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
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
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

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
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
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
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
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
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
4.5

8-1-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
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
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
8

5-2,3,5,6-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
9

277-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
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
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
5

6-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

(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
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
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

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
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
5

2-1,2-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
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
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
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
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
16

Cholesterol

See CHOEST01

Leh-Yeh Hsu, J. W. Kampf, C. E. Nordman, Acta Crystallogr. ,Sect. B:Struct. Sci., 2002, 58, 260 CHOEST21 2002
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
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
8

Triphenylsilanol

Four determinations

K. F. Bowes, C. Glidewell, J. N. Low, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 2002, 58, o409 JIPTIL02 2002
6

2-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
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
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

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

(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
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
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
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
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
5

3522-(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
24

22-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
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
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
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
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
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
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

(?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
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
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
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
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
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
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
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
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

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
6

4-3,5-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
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
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
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
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
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
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
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
5

2-1,2-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
5.5

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
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
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
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
5

5-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
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
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
6

1,8-Di-iodonaphthalene

Short I···I contacts

H. Bock, M. Sievert, Z. Havlas, Chem. -Eur. J., 1998, 4, 677 PIPQUA 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-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
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
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
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

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
5

5-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
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
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
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
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
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
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
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
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
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
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

Triphenylgermanol

Two determinations

H. Puff, K. Braun, H. Reuter, J. Organomet. Chem., 1991, 409, 119 JIPTOR 1991
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
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
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
8

Triphenylsilanol

Four determinations

H. Puff, K. Braun, H. Reuter, J. Organomet. Chem., 1991, 409, 119 JIPTIL 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
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
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
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
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
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
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
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
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
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
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
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
5.33

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
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
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
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
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
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
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

(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
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

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
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
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
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
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
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
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
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
4.5

Sodium trimethylsiloxide

No 3D coordinates

T. Greiser, E. Weiss, Chem. Ber., 1977, 110, 3388 ZZZBJM 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
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
10

2-Pyridyl-iodo-tetrahydrofuran-magnesium

No 3D coordinates

H. H. Paradies, Naturwissenschaften, 1974, 61, 168 QQQGGJ 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
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
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
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
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
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
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
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: Cryst. Growth Des. 2011, 11, 820.

N. Kasai, K. Yasuda, R. Okawara, J. Organomet. Chem., 1965, 3, 172 TMESNH 1965
9

Lithium t-butoxide t-butyl lithium complex

No 3D coordinates

K. Huml, Czech. J. Phys., 1965, 15, 699 ZZZKEY 1965
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
8

Di(phenylethynyl) mercury

No 3D coordinates

J. Trotter, Can. J. Chem., 1962, 40, 1218 ZZZKFC 1962
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
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
10

1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane

No 3D coordinates

Wild, Brandenberger, Helv. Chim. Acta, 1946, 29, 1024 OPDDTE01 1946
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
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