Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 7 (July 1997)

Cover illustration: 1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane, see Blake, Li, Lippolis and Schröder, pages 886-888. Displacement ellipsoids are shown at the 70% probability level for non-H atoms and H atoms are shown as spheres of arbitrary radii.

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

cif-access (metal-organic compounds)

 

Bis[bis(triphenylphosphine)iminium] Di--thio-bis[(pentasulfido)ferrate(III)]

J. W. van Hal and K. H. Whitmire

Formula: (C₃₆H₃₀NP₂)₂[Fe₂S₁₂]

inorganic compounds

 

Ba₃Zr₂S₇, the Low-Temperature Polymorph

Y.-C. Hung, J. C. Fettinger and B. W. Eichhorn

Synopsis: The low-temperature polymorph of Ba₃Zr₂S₇ has P4₂/mnm crystal symmetry and contains buckled corner-sharing ZrS₆ octahedra, in contrast to the linear ZrS₆ octahedra found in the high-temperature I4/mmm polymorph.

Formula: Ba₃Zr₂S₇

 

Hexa--nitrato-₄-oxo-tetraberyllium

M. J. Haley, S. C. Wallwork, B. Duffin, N. Logan and C. C. Addison

Synopsis: The determination of the structure of [Be₄O(NO₃)₆] confirms the expectation of a molecular structure similar to that of basic beryllium acetate.

Formula: [Be₄O(NO₃)₆]

 

Dicalcium Sodium Fluoride Silicate

Ö. Andaç, F. P. Glasser and R. A. Howie

Synopsis: The pseudo-hexagonal structure of Ca₂NaF(SiO₄) is derived from that of Ca₃SiO₅ with fluorine replacing the set of O atoms not bonded in SiO₄ isolated tetrahedra.

Formula: Ca₂NaF(SiO₄)

 

Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning

A. Torii, K. Ogawa, H. Tamura and K. Osaki

Synopsis: A new model of MnSiF₆.6H₂O is presented which reproduces the `weak' h0l reflections not explained with the `antiphase domain' model by Chevrier [Acta Cryst. (1991), B 47, 224-228]. Good agreement for the `weak' reflections was obtained by assuming a sort of submicroscopic twinning.

Formula: MnSiF₆.6H₂O

metal-organic compounds

 

Dichlorobis[1,3-dimethylimidazole-2(3H)selone-Se]cobalt(II)

D. J. Williams, T. A. Jones, E. D. Rice, K. J. Davis, J. A. Ritchie, W. T. Pennington and G. L. Schimek

Formula: [CoCl₂(C₅H₈N₂Se)₂]

 

-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]²⁺ as its Hexafluorophosphate Salt

M. Kato, C. Kosuge, S. Yano and M. Kimura

Formula: [Pt(C₂H₈N₂)(C₁₀H₈N₂)](PF₆)₂

 

A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid

R. W. Corkery and D. C. R. Hockless

Formula: [Co₂(C₁₈H₃₅O₂)₄(C₅H₅N)₄(H₂O)]

 

cyclo-Tetrakis(-oxo)tetrakis[iodo(⁵-methylcyclopentadienyl)titanium(IV)]

C. O. Kienitz, C. Thöne and P. G. Jones

Formula: [Ti₄I₄O₄(C₆H₇)₄]

 

Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide

O. Moers, A. Blaschette and P. G. Jones

Formula: [Ca(H₂O)₇](C₆H₄NO₄S₂)₂

 

[N,N'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)

J.-M. Lo, H.-H. Yao, F.-L. Liao, S.-L. Wang and T.-H. Lu

Formula: [Cu(C₁₈H₁₈N₂O₂)]

 

Iodobis(pyridine-N)bis(⁵-trimethylsilylcyclopentadienyl)neodymium

D. L. Clark, J. C. Gordon, B. L. Scott and J. G. Watkin

Formula: [NdI(C₈H₁₃Si)₂(C₅H₅N)₂]

 

Diaquabis(2-quinolinecarboxylato-N,O)manganese(II)

N. Okabe and M. Koizumi

Formula: [Mn(C₁₀H₆NO₂)₂(H₂O)₂]

 

Tetrakis(-benzoato-O:O')bis(urea)-1O,2O-dicopper(II)

I. Leban, N. Grgurevic, J. Sieler and P. Segedin

Formula: [Cu₂(C₇H₅O₂)₄(CH₄N₂O)₂]

 

Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate

W. T. A. Harrison, L. L. Dussack and A. J. Jacobson

Formula: (C₄H₁₂N₂)₂[Mo₅O₁₅(C₆H₅O₃P)₂].2H₂O

 

trans-[(Mo₆Cl₈)(C₇H₇)₄{P(n-C₄H₉)₃}₂] and trans-[(Mo₆Cl₈)(C₈H₅)₄{P(n-C₅H₁₁)₃}₂\].2C₇H₈

T. Yamagata, H. Okiyama, H. Imoto and T. Saito

Formula: [(Mo₆Cl₈)(C₇H₇)₄(C₁₂H₂₇P)₂] and [(Mo₆Cl₈)(C₈H₅)₄(C₁₅H₃₃P)₂].2C₇H₈

 

A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand

H. Elias, F. Stock and C. Röhr

Formula: [MoO₂(C₂₂H₂₈N₂O₂)].CHCl₃

 

Dichloro(⁶-hexamethylbenzene)(pyridine-N)ruthenium

A. J. Steedman and A. K. Burrell

Formula: [RuCl₂(C₁₂H₁₈)(C₅H₅N)]

 

Di--bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl-C²}dipalladium

M. Chentit, M. Geoffroy and G. Bernardinelli

Formula: [Pd₂Br₂(C₂₅H₃₄P)₂]

 

[N-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II)

M. Kabak, A. Elmali and Y. Elerman

Formula: [Ni(C₁₄H₁₁NO₂)(C₅H₁₁N)]

 

Strontium Acetate Nitrate Trihydrate, [Sr₂(CH₃COO)₂(NO₃)₂(H₂O)₃]

C. L. Lengauer and G. Giester

Formula: [Sr₂(C₂H₃O₂)₂(NO₃)₂(H₂O)₃]

 

Bis{(-acetato)[-bis(salicylidene)-1,3-propanediaminato](N,N-dimethylformamide)nickel(II)}cadmium(II)

D. Ülkü, M. N. Tahir, O. Atakol and H. Nazir

Formula: [CdNi₂(C₂H₃O₂)₂(C₁₇H₁₆N₂O₂)₂(C₃H₇NO)₂]

 

Bis[N-(2,6-diisopropylphenyl)amido][N-(2,6-diisopropylphenyl)imido]bis(pyridine-N)zirconium

A. J. Blake, G. I. Nikonov and P. Mountford

Formula: [Zr(C₁₂H₁₇N)(C₁₂H₁₈N)₂(C₅H₅N)₂]

 

-Bromo--cyclohexylphosphido-bis(tetracarbonylmanganese) and -Bromo--(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)

U. Flörke and H.-J. Haupt

Formula: [Mn₂Br(C₆H₁₂P)(CO)₈] and [Mn₃Br(PH)(CO)₁₃]

 

Layered Tetramethylammonium Vanadium Oxide [N(CH₃)₄]V₃O₇ by X-ray Rietveld Refinement

P. Y. Zavalij, T. Chirayil and M. S. Whittingham

Formula: (C₄H₁₂N)[V₃O₇]

 

Bis(⁶-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-closo-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal-Arene Interactions

R. S. Mathur, T. Drovetskaya and C. A. Reed

Formula: [Tl(C₇H₈)₂](CB₁₁H₆Br₆)

organic compounds

 

An Atypical Conformation of a Toluenesulfonamide

M. Helliwell, Y. Zhao and J. A. Joule

Formula: C₂₁H₂₅N₃O₂S

 

1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane

A. J. Blake, W.-S. Li, V. Lippolis and M. Schröder

Formula: C₁₀H₂₀S₄.4I₂

 

2,6-Diacetylpyridinebis(p-methoxyaniline), a Terdentate NNN Donor Ligand

P. R. Meehan, E. C. Alyea and G. Ferguson

Formula: C₂₃H₂₃N₃O₂

 

N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine-Water (1/2)

J. N. Low, G. Ferguson, R. López, P. Arranz, J. Cobo, M. Melguizo, M. Nogueras and A. Sánchez

Formula: C₇H₉N₅O₄.2H₂O

 

trans- and cis-S-C-C-S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine

J. Wouters, I. Creuven, B. Norberg, G. Evrard, F. Durant, A. van Aerschot and P. Herdewijn

Formula: C₁₇H₁₆N₂O₅S₂

 

2-Oxazolidinone

J. Wouters, F. Ooms and F. Durant

Formula: C₃H₅NO₂

 

1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene

M. Aygün, S. Isik, S. Sasmaz, M. N. Tahir, A. Erdönmez and O. Büyükgüngör

Formula: C₁₇H₁₅ClO₃

 

Configuration of the Diels-Alder Adduct of Hexachlorocyclopentadiene with L-Menthyl Acrylate

D. Ülkü, M. N. Tahir, A. S. Demir, I. Akhmedov and C. Tanyeli

Formula: C₁₈H₂₂Cl₆O₂

 

Hydrogen-Bonding Pattern of an ,-Unsaturated -Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'H-indene]-3-carboxylic Acid

R. A. Lalancette, H. W. Thompson and M. L. Coté

Formula: C₁₆H₁₆O₃

 

(+)-3-Oxoandrost-4-ene-17-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid

A. P. J. Brunskill, R. A. Lalancette and H. W. Thompson

Formula: C₂₀H₂₈O₃

 

4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate

C. P. Lai, L. Bo and S. D. Huang

Formula: C₁₀H₁₀ClN₃O₂.CH₄O

 

(E,Z)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole

D. E. Bacelo, O. Cox, L. A. Rivera, M. Cordero and S. D. Huang

Formula: C₁₈H₁₄ClN₃O₂

 

Absolute Configuration of (+)--Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist

C. Wilson, J. A. K. Howard, D. E. Jane, D. C. Sunter and J. C. Watkins

Formula: C₁₀H₁₁NO₄

 

(E)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane

K. Griesbaum, K. J. McCullough, I. Perner, R.-O. Quinkert and G. M. Rosair

Formula: C₄H₄Cl₄O₃

 

(4RS,1'RS)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C₂₇H₃₂N₂O₄S.1.5CH₄O

N. Marubayashi, T. Mishina, T. Hamasaki and N. Hirayama

Formula: C₂₇H₃₂N₂O₄S.1.5CH₄O

 

Lactosylurea Dihydrate

M. M. Olmstead, M. Hu, M. J. Kurth, J. M. Krochta and Y.-L. Hsieh

Formula: C₁₃H₂₄N₂O₁₁.2H₂O

 

3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone

S. Shanmuga Sundara Raj, M. N. Ponnuswamy, G. Shanmugam and S. Nanjundan

Formula: C₁₉H₁₃ClO

 

3,4-Diiodo-2,5-dimethylhexa-2,4-diene

P. G. Jones, P. Bubenitschek, T. Höpfner and H. Hopf

Formula: C₈H₁₂I₂

 

All-E-7,8,9,10,11,12-hexaethyl[6]radialene

P. G. Jones, P. Bubenitschek, T. Höpfner and H. Hopf

Formula: C₂₄H₃₆

 

Bis(phenyl)-1-carbamoylguanidinium N-Phenylcarbamidonitrilate. Revision of an Earlier Proposal

F. H. Herbstein, M. Kapon and Q.-C. Yang

Formula: C₁₄H₁₅N₄O⁺.C₈H₆N₃O^-

 

trans-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4--carbolinylideneacetate

E. Subramanian, L. Govindasamy and K. Ravichandran

Formula: C₂₆H₂₂N₂O₆S₂

 

N,N'-Dicyclohexylurea

L. Govindasamy and E. Subramanian

Formula: C₁₃H₂₄N₂O

 

Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate

L. Govindasamy, D. Velmurugan, K. Ravikumar and A. K. Mohanakrishnan

Formula: C₂₃H₂₁NO₆S

 

An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine

B. M. Rymarczyk, H. Preut and R. P. Kreher

Formula: C₁₆H₁₂Cl₂N₂S₂

 

Two 1,5-Disubstituted Proline Esters

R. Soave, P. Roversi and R. Destro

Formula: Two diastereoisomers of C₂₅H₃₁NO₅

 

(cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-4-yl)methyl 3,5-Dinitrobenzoate

M. Lautens, A. J. Lough and Y. Ren

Formula: C₂₂H₂₄N₂O₇

 

3,4-Epoxy-5-androstan-17-one

L. C. R. Andrade, J. A. Paixão, M. J. de Almeida, E. J. Tavares da Silva, M. L. Sá e Melo and A. S. Campos Neves

Formula: C₁₉H₂₈O₂

 

A Cyclic Monomer of Tetraethyleneglycol Succinate

L. Cronin, M. H. Moore, J. A. Semlyen and B. R. Wood

Formula: C₁₂H₂₀O₇

 

Boron Complex of a Member of the Quinolone Family

I. Turel, I. Leban, P. Bukovec and M. Barbo

Formula: C₁₇H₁₄BClFNO₇

 

1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane

N. P. Rath, H. Gu and R. W. Murray

Formula: C₁₂H₁₈O₂ and C₁₁H₁₆O₃

 

Three trans-Diphenylperfluorotrienes

D. C. Swenson, P. A. Morken and D. J. Burton

Formula: C₁₈F₁₆, C₂₀H₁₀F₁₀ and C₂₂H₁₀F₁₄

 

Methyl 2-Aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)--D-erythro-hexopyranosid-3-ulose

G. Bernardinelli, J. F. Tronchet and J. M. J. Tronchet

Formula: C₁₄H₁₉N₃O₇

 

Refinement of Ibuprofen at 100K by Single-Crystal Pulsed Neutron Diffraction

N. Shankland, C. C. Wilson, A. J. Florence and P. J. Cox

Formula: C₁₃H₁₈O₂

 

Novel Oxidative Rearrangement Product of the First trans,cis,cis,cis-[5.5.5.5]Fenestrane Derivative

P. A. Wender, M. A. deLong and F. C. Wireko

Formula: C₁₆H₂₂O₂

 

1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives

C.-F. Yao, Y.-S. Chen, W.-C. Chen, R.-S. Sheu, J.-K. Lai and C.-H. Ueng

Formula: C₂₅H₂₆N₂, C₂₅H₂₅NO and C₂₅H₂₄O₂

 

(tert-Butoxycarbonylamino)acetonitrile

G. Sood, C. H. Schwalbe and W. Fraser

Formula: C₇H₁₂N₂O₂

 

Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction

D. M. Young, A. J. Schultz, A. M. Kini and J. M. Williams

Formula: C₁₀D₈S₈

 

Two Related Benzylcamphor Dimers

I.-H. Suh, S. Choi, D. E. Lewis and W. P. Jensen

Formula: Two isomers of C₃₄H₄₂O₂

 

Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid

L. J. Fitzgerald and R. E. Gerkin

Formula: C₁₂H₁₂O₆

 

Intermediates in the Synthesis of Forskolin. I

J. Zukerman-Schpector, I. Caracelli, I. Malvestiti, Q. B. Cass and M. A. Battiste

Formula: C₁₇H₂₂O₄

 

N-(2-Pyridinium)urea Perchlorate

V. Velikova, O. Angelova, R. Petrova and K. Kossev

Formula: C₆H₈N₃O⁺.ClO₄^-

 

Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline

J. T. Mague, S. Vang, D. G. Berge and W. F. Wacholtz

Formula: C₁₄H₁₁N₃S, C₁₅H₁₃N₃S, C₁₄H₁₀BrN₃S and C₁₄H₁₀ClN₃S

 

(6Z,8Z)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione

G. Prakash, J. C. Fettinger and D. E. Falvey

Formula: C₁₄H₁₆N₂O₃

 

(20S)-6-Methoxy-20-(p-toluenesulfonyloxymethyl)-3,5-cyclo-5-pregnane

K. A. Ketuly, D. S. Yufit, C. J. W. Brooks and A. A. Freer

Formula: C₃₀H₄₄O₄S

 

6,7-Dihydroxyvouacapan-17-oic Acid

S. G. Ruggiero, B. L. Rodrigues, N. G. Fernandes, G. M. Stefani and D. P. Veloso

Formula: C₂₀H₂₈O₅

 

N-Cyano-N'-(4-methoxyphenyl)guanidine

I. D. Cunningham, N. C. Wan, D. C. Povey, G. W. Smith and B. G. Cox

Formula: C₉H₁₀N₄O

 

Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate

S. W. Ng

Formula: 2C₁₂H₂₄N⁺.C₇H₃NO₄^2-.2H₂O

 

Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline 0.13-Hydrate

G. Giorgi, A. Cappelli, M. Anzini, S. Vomero and F. Marchetti

Formula: C₂₂H₂₃N₃O.0.13H₂O

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