Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 8 (August 1997)

Cover illustration: Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane, see Irngartinger, Strack, Gleiter and Brand, pages 1145-1148. Displacement ellipsoids are shown at the 50% probability level and H atoms are omitted for clarity.

• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds

cif-access (organic compounds)

 

5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8]undec-9-ene 4,4-Dioxide

G. Ferguson, A. L. Schwan, M. L. Kalin and J. L. Snelgrove

Formula: C₈H₁₀O₄S

 

Aminoguanidinium Squarate

T. Kolev, Z. Glavcheva, R. Stahl, H. Preut, P. Bleckmann and V. Radomirska

Formula: 2CH₇N₄⁺.C₄O₄^2-

inorganic compounds

 

KAg₂AsS₄

G. L. Schimek and J. W. Kolis

Synopsis: KAg₂AsS₄ is non-centrosymmetric. The anionic framework is built from vertex-sharing AsS₄ and AgS₄ tetrahedra. The K⁺ ions reside in orthogonal tunnels parallel to the x and y axes.

Formula: KAg₂AsS₄

 

Cs₂Mn₃Te₄

E. J. Wu and J. A. Ibers

Synopsis: The structure of Cs₂Mn₃Te₄ comprises layers of edge-sharing manganese-centered tetrahedra stacked perpendicular to [001]. The layers are separated by Cs⁺ cations, each coordinated by eight Te^2- anions.

Formula: Cs₂Mn₃Te₄

 

Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate

X. Solans, J. Solans and M. V. Domènech

Synopsis: K₂Sr[H₄B₄O₉]₂.10H₂O and (NH₄)₂Ca[H₄B₄O₉]₂.8H₂O contain alternate layers of tetraborate ions and two of the water molecules, and are completed by the cations and the remaining water molecules. The space group and number of water molecules of hydration depend on the nature of the cation.

Formula: K₂Sr[H₄B₄O₉]₂.10H₂O and (NH₄)₂Ca[H₄B₄O₉]₂.8H₂O

 

A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn₃(AsO₄)₂]₃.4H₂O

P. Feng, X. Bu and G. D. Stucky

Synopsis: The structure of [Zn₃(AsO₄)₂]₃.4H₂O contains infinite chains of edge-sharing zinc octahedra and trigonal bipyramids. The chains are cross-linked by clusters of As and Zn tetrahedra to form a very dense three-dimensional framework.

Formula: [Zn₃(AsO₄)₂]₃.4H₂O

 

Mercury(II) Diphosphate, Hg₂P₂O₇

M. Weil and R. Glaum

Synopsis: Single crystals of Hg₂P₂O₇ suitable for structure refinement were grown by chemical vapour transport. The structure contains highly distorted HgO₆ octahedra and P₂O₇ groups with an almost eclipsed conformation and a P-O-P bridging angle of 133.4(4)°.

Formula: Hg₂P₂O₇

metal-organic compounds

 

(K⁺)₂(18-crown-6-K⁺)₂[Sn₂Se₆]^4-.4en: an [Sn₂Se₆]^4- Anion with a Short Sn

H. Borrmann, A. M. Pirani and G. J. Schrobilgen

Formula: K₂[K(C₁₂H₂₄O₆)]₂[Sn₂Se₆].4C₂H₈N₂

 

[2,2,2-Crypt-K]₂[Cr₂(CO)₁₀]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry

H. Borrmann, A. M. Pirani and G. J. Schrobilgen

Formula: [K(C₁₈H₃₆N₂O₆)]₂[Cr₂(CO)₁₀]

 

A (3,5-Dimethylpyridine-N)(N-salicylideneglycinato-O,N,O':O'')copper(II) Polymer

S. A. Warda

Formula: [Cu(C₉H₇NO₃)(C₇H₉N)]

 

[N,N'-Bis(salicylidene)-1,4-diiminobutane]copper(II)

H.-H. Yao, J.-M. Lo, B.-H. Chen and T.-H. Lu

Formula: [Cu(C₁₈H₁₈N₂O₂)]

 

(Carbonato-O,O')bis(1,2-ethanediamine-N,N')cobalt(III) Perchlorate

H.-M. Hu, H.-S. Sun, C.-Y. Duan, Q. Zhao, X.-Z. You, Z.-Y. Zhou and X.-G. Zhou

Formula: [Co(CO₃)(C₂H₈N₂)₂]ClO₄

 

catena-Diaquatris(-furancarboxylato)lanthanum(III)

X. Li, X.-A. Chen, L. Zhao and B.-M. Chen

Formula: [La(C₅H₃O₃)₃(H₂O)₂]

 

Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(⁵-cyclopentadienyl)(-1,4-:4,5--1,4-pentadien-1,4-diyl)oxoditungsten(W-W)

C. G. Kreiter, C. B. Schwarz, W. Frank and G. J. Reiß

Formula: [W₂O(C₅H₅)₂(C₅H₆)(CO)₂]

 

Di--chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5H,17H-dibenzo[f,o][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]

T.-H. Ahn, S.-G. Lee, J. Kim, S.-J. Kim and I.-H. Suh

Formula: [Cu₂Cl₄(C₂₀H₂₆N₂O₂)₂]

 

Bis[(anhydro-meso-rhodochlorinato-XV methyl ester)zinc(II)]

M. O. Senge and K. M. Smith

Formula: [Zn(C₃₃H₃₄N₄O₃)]₂

 

Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide

S. C. James, N. C. Norman, A. G. Orpen and M. J. Quayle

Formula: [Li(C₄H₈O)₄]₂[Bi₂Cl₈(C₄H₈O)₂] and [SbI₃(C₄H₈O)]

 

Bis(pyridine-N)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate

H. Duval, V. Bulach, J. Fischer and R. Weiss

Formula: [Ni(C₄₈H₂₄N₈)(C₅H₅N)₂].2CH₄O

 

Zinc(II) Acetate Dihydrate

T. Ishioka, A. Murata, Y. Kitagawa and K. T. Nakamura

Formula: [Zn(C₂H₃O₂)₂(H₂O)₂]

 

Tris[N-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate

S. Watson, W. Errington, D. Fenn, P. Moore and M. G. H. Wallbridge

Formula: [Sn(C₂₇H₂₇N₄O₃)]I.0.5CH₃CN

 

Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate

S. W. Ng and V. G. Kumar Das

Formula: (C₄H₁₂N)[Sn(C₆H₅)₃(C₁₀H₅O₄)₂].C₂H₆O

 

A Tetrahydrofuran Ring-Opening Product: trans-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-O}(tetrahydrofuran-O)zirconium(IV)

M. Polamo, I. Mutikainen and M. Leskelä

Formula: [ZrCl₄(C₁₅H₁₈N₂O)(C₄H₈O)]

 

Bis(triphenylphosphine-P)iminium Trichloro(⁵-cyclopentadienyl)chromide(III)

M. Scheer and P. G. Jones

Formula: (C₃₆H₃₀NP₂)[CrCl₃(C₅H₅)]

 

Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1-)-Dichloromethane (1/1)

J. R. Miller, C. Lu and Y. Zheng

Formula: C₄₂H₃₄PSSi⁺.ReO₄^-.CH₂Cl₂

 

A Bioctahedral Nb^IV Cluster with Bridging Sulfides: [Nb₂(-S)₂Cl₄(thf)₄]

M. Yoon, V. Young Jnr and G. J. Miller

Formula: [Nb₂Cl₄S₂(C₄H₈O)₄]

 

Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate

L. Pech, Y. A. Bankovsky, A. Kemme and J. Lejejs

Formula: [Fe(C₉H₆NO)₃].C₂H₆O

 

(2,2'-Bipyridyl-N,N')dibromopalladium(II)

W. J. J. Smeets, A. L. Spek, J. L. Hoare, A. J. Canty, N. Hovestad and G. van Koten

Formula: [PdBr₂(C₁₀H₈N₂)]

 

trans-Diaquabis(2,2'-bipyridine-N,N')ruthenium(II) Bis(hexafluorophosphate)

N. R. Weathers, R. C. Sadoski, B. Durham and A. W. Cordes

Formula: [Ru(C₁₀H₈N₂)₂(H₂O)₂](PF₆)₂

 

trans-Diaquabis(N,N-diethylnicotinamide-N¹)bis(4-nitrobenzoato-O)copper(II)

T. Hökelek, K. Budak and H. Necefouglu

Formula: [Cu(C₇H₄NO₄)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]

 

Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)

K. Ejsmont and R. Kubiak

Formula: [GeI₂(C₃₂H₁₆N₈)] and [SnI₂(C₃₂H₁₆N₈)]

 

A Crown-Linked Donor-Acceptor Assembly Containing Re^I(diimine)(CO)₃Cl and Nitrobenzene Components

M. Absi, C. L. Stern, D. I. Yoon and J. T. Hupp

Formula: [ReCl(C₃₂H₃₃N₃O₁₄)(CO)₃]

 

Bis{(-acetato)[-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II)

D. Ülkü, F. Ercan, O. Atakol and F. N. Dinçer

Formula: [Ni₃(C₁₇H₁₆N₂O₂)₂(C₂H₃O₂)₂(C₂H₆OS)₂]

 

[N,N-Bis(2-chloroethyl)-1,2-ethanediamine-N,N']bis(3-methyl-2,4-pentanedionato-O,O')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent

D. C. Ware, W. A. Denny and G. R. Clark

Formula: [Co(C₆H₉O₂)₂(C₆H₁₄Cl₂N₂)]ClO₄

 

Bis[aqua(chlorodifluoroacetato-O)triphenyltin-1,10-phenanthroline]

S. W. Ng

Formula: [Sn(C₂ClF₂O₂)(C₆H₅)₃(H₂O)]₂.2C₁₂H₈N₂

 

Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate

C. Näther, T. Hauck and H. Bock

Formula: [Ba(C₄H₈O)₅](C₁₂H₈N)₂.C₄H₈O

organic compounds

 

Diallyl Sulfide and Diallyl Disulfide

B. Bartkowska and C. Krüger

Formula: C₆H₁₀S and C₆H₁₀S₂

 

Tetravinylsilane

B. Bartkowska and C. Krüger

Formula: C₈H₁₂Si

 

(13E)-(-)-Labda-8(17),13-dien-15-oic Acid

R. Atencio, R. Gaitán, S. Pekerar and J. D. Medina

Formula: C₂₀H₃₂O₂

 

Hydrogen-Bonding Networks Involving Water in Amphiphilic N-Dodecanoyl-L-serine Monohydrate

B. Schade, J.-H. Fuhrhop, V. Hubert, M. Weber and P. Luger

Formula: C₁₅H₂₉NO₄.H₂O

 

6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution

D. Sriram, S. Srinivasan, K. C. Santhosh and K. K. Balasubramanian

Formula: C₁₆H₁₄O₂S and C₁₆H₁₄O₃S

 

-1-N-Acetamido-D-glucopyranose

D. Sriram, H. Sreenivasan, S. Srinivasan, K. Priya, M. Vishnu Thirtha and D. Loganathan

Formula: C₈H₁₅NO₆

 

5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate

A. C. Blackburn and R. E. Gerkin

Formula: C₁₃H₁₂O₄ and C₁₄H₁₄O₄

 

Anthracene-1-carboxylic Acid

L. J. Fitzgerald and R. E. Gerkin

Formula: C₁₅H₁₀O₂

 

An Estrone-Glucuronide Conjugate

C. M. Smales, L. F. Blackwell, J. M. Waters and A. K. Burrell

Formula: C₂₄H₃₀O₈.H₂O

 

endo-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate

J. M. White and A. J. Green

Formula: C₁₆H₂₃NO₄SSi

 

3,3-Dimethyl-N-nitroso-2-phenyldecahydroquinolin-4-one

A. Thiruvalluvar, V. Parthasarathi, D. Natarajan, N. Bhavani and M. Bhadbhade

Formula: C₁₇H₂₂N₂O₂

 

(-)-(R)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C₁₀H₂₀NO₃⁺.Cl^-

K. Frydenvang, S. J. Enna and P. Krogsgaard-Larsen

Formula: C₁₀H₂₀NO₃⁺.Cl^-

 

1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea

K. Frydenvang and I. K. Larsen

Formula: C₁₄H₁₇N₃O₂

 

Four Methyl Azolyl-3-propenoates

A. J. Blake, H. McNab and C. Thornley

Formula: C₇H₈N₂O₂.0.5H₂O, C₈H₉NO₂ and two isomers of C₇H₈N₂O₂

 

2,3-Dihydro-3-phenyl-1H-isoindol-1-one at 220K

H. McNab, S. Parsons and D. A. Shannon

Formula: C₁₄H₁₁NO

 

3,4-Etheno-5-methoxymethyl-2'-deoxycytidine

G. F. Audette, W. M. Zoghaib, G. Tourigny, S. V. Gupta and L. T. J. Delbaere

Formula: C₁₃H₁₇N₃O₅

 

11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-b]furan-6(11H)-one

R. C. Cambie, J. B. J. Milbank, C. E. F. Rickard and P. S. Rutledge

Formula: C₂₀H₁₅ClO₄

 

2,2'-Diaminodiphenyl Disulfide Hemihydrate

B. Kaitner and G. Pavlovic

Formula: C₁₂H₁₂N₂S₂.0.5H₂O

 

Methyl 2-O--D-Mannopyranosyl--D-glucopyranoside

L. Eriksson, R. Stenutz and G. Widmalm

Formula: C₁₃H₂₄O₁₁

 

(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7]nonane: a Tricyclic System Formed Under Cathodic Conditions

G. Raabe, S. R. Hall, H. G. Thomas, U. Wellen and J. Simons

Formula: C₁₄H₂₀O₆

 

Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]

S. W. Ng

Formula: C₄H₁₂N⁺.C₁₆H₂₇N₄O₄S₈^-

 

N,N'-Diphenylguanidinium Hydrogenselenite Monohydrate

J. A. Paixão, A. Matos Beja, M. Ramos Silva, E. de Matos Gomes, J. Martín-Gil and F. J. Martín-Gil

Formula: C₁₃H₁₄N₃⁺.HSeO₃^-.H₂O

 

4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate

K. Gunasekaran, S. Shanmuga Sundara Raj, D. Velmurugan, T. M. Rajendran and M. Kandaswamy

Formula: C₁₉H₂₉N₅O.H₂O

 

3-(1,8-Naphthalenedicarboximido)benzonitrile [or N-(3-Cyanophenyl)-1,8-naphthalimide], C₁₉H₁₀N₂O₂

R. A. Batchelor, C. A. Hunter and J. Simpson

Formula: C₁₉H₁₀N₂O₂

 

1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry

P. G. Jones, H. Thönnessen, A. Karaçar and R. Schmutzler

Formula: C₁₄H₁₈P₂

 

Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate

R. W. Gable, C. Y. Gan and J. N. Lambert

Formula: C₁₂H₁₄O₃

 

4-Benzyl-5-ethylthio-3H-1,2-dithiole-3-thione

R. Baggio, D. Vega, M. L. Aimar, R. H. de Rossi and J. Ellena

Formula: C₁₂H₁₂S₄

 

Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)

J. Kansikas and K. Sipilä

Formula: C₁₅H₁₂S, C₁₆H₁₄S, C₁₇H₁₆S and C₁₈H₁₈S

 

5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane

L. Van Meervelt and P. Kong Thoo Lin

Formula: C₂₄H₃₄N₂O₈S₂

 

Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate

Q.-C. Yang, Y.-Q. Song, Y.-Q. Tang, W.-W. Pei, S.-H. Li and X.-L. Ye

Formula: Two isomers of C₁₇H₂₂O₈

 

1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether

K. Kubo, N. Kato, A. Mori and H. Takeshita

Formula: C₂₀H₂₅N₃O₄

 

A Diiodo-Substituted 9-Anthracenone

R. K. Thalji, G. Garcia, B. Asfaw, A. Rodriguez and F. R. Fronczek

Formula: C₁₉H₁₂I₂O₂

 

(1S,6S)-Tetrazolo[1,5-g]-7-aza-trans-himachal-2-ene

E. Lassaba, A. Benharref, M. Giorgi and M. Pierrot

Formula: C₁₄H₂₂N₄

 

2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile

R. SanMartín, R. Olivera, E. Domínguez, J. L. Pizarro and M. I. Arriortua

Formula: C₁₂H₁₅BrN₂O₂

 

2-[2-(Hydroxyethyl)phenoxy]benzoic Acid

A. M. Damas, F. F. Roleira and M. M. M. Pinto

Formula: C₁₅H₁₄O₄

 

Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane

H. Irngartinger, S. Strack, R. Gleiter and S. Brand

Formula: Two isomers of C₁₆H₂₄

 

Exclusive Formation of Crystalline sp-9-(o-Isopropylphenyl)fluorene from its ap Rotamer in Solution

C. Y. Meyers, Y. Hou, D. Scott and P. D. Robinson

Formula: C₂₂H₂₀

 

S-Methyl -N-[4-(Dimethylamino)benzylidene]dithiocarbazate

C.-Y. Zhao, C.-Y. Duan, Y.-P. Tian, X.-Z. You and T. C. W. Mak

Formula: C₁₁H₁₅N₃S₂

 

Redetermination of 1,3-Dimethylimidazole-2-thione

D. W. Tomlin, D. P. Campbell, P. A. Fleitz and W. W. Adams

Formula: C₅H₈N₂S

 

N-Carboxy-DL-phenylalanine Anhydride

H. Kanazawa, H. Uekusa and Y. Ohashi

Formula: C₁₀H₉NO₃

 

4-(1-Phenylpiperidin-4-ylidene)cyclohexanone

H. Kooijman, A. L. Spek, F. J. Hoogesteger and L. W. Jenneskens

Formula: C₁₇H₂₁NO

 

4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile

Y. Elerman, A. Elmali, E. Kendi, S. Özbey and V. Ertüzün

Formula: C₁₉H₁₆N₂OS

 

1-(2,4-Diacetoxyphenyl)-2-phenylethanone

H. N. Pati, V. S. Parmar and W. Errington

Formula: C₁₈H₁₆O₅

 

Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-S-carbonothioate

R. Jones, A. G. M. Rattray, J. R. Scheffer and J. Trotter

Formula: C₂₀H₁₆O₄S

Copyright © International Union of Crystallography
IUCr Webmaster