Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 5 (May 1998)

Cover illustration: Lithium Hexafluoroarsenate Monohydrate, LiAsF6.H2O, see Loss & Röhr, pages 567-569. Displacement ellipsoids are shown at the 50% probability level.

• cif-access (inorganic compounds)
• cif-access (metal-organic compounds)
• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds
• addenda and errata

cif-access (inorganic compounds)

 

The New Mixed Lithium Tantalum Phosphide Li_8-xTa_xP₄ (x = 0.5)

L. Monconduit, C. Belin and M. Tillard

Synopsis: The structure of Li_8-xTa_xP₄ (x = 0.5) has been refined in the space group Fm3m [a = 5.999(1)Å]. It has an anti-CaF₂ type structure in which the tetrahedral site is statistically occupied by Li and Ta atoms surrounded by P atoms.

Formula: Li_7.50Ta_0.50P₄

cif-access (metal-organic compounds)

 

Bis(tetra-n-butylammonium) Nonadecaoxohexamolybdenum(VI): a Redetermination at 148K

P. D. Boyle, T. C. Stauffer, J. I. Wirgau and C. R. Cornman

Synopsis: The structure of (C₁₆H₃₆N)₂[Mo₆O₁₉], originally determined at room temperature [Rheingold et al. (1993). Acta Cryst. C49, 756-758], has been redetermined at 148 K.

Formula: (C₁₆H₃₆N)₂[Mo₆O₁₉]

 

Octacarbonyl(-dicyclohexylphosphanido)(-trifluoromethylmercury)dirhenium

U. Flörke and H.-J. Haupt

Synopsis: This is a rare example of a trinuclear rhenium-mercury carbonyl cluster complex containing a bridging phosphanido ligand.

Formula: [HgRe₂(CF₃)(C₁₂H₂₂P)(CO)₈]

 

Octacarbonylbis(-cyclohexylphosphanido)manganeserhenium

U. Flörke

Synopsis: In contrast to related homonuclear complexes, the MnReP₂ ring in this complex is not planar and the C₆H₁₁ and H groups at both phosphanido bridges are in syn positions.

Formula: [MnRe(C₆H₁₂P)₂(CO)₈]

 

-Chloro-(-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium]

U. Flörke

Synopsis: This is the first crystallographically characterized dirhenium carbonyl complex to contain one chloro and one phosphanido bridge.

Formula: [Re₂Cl(C₁₂H₂₂P)(C₁₈H₁₅P)₂(CO)₆]

 

Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH₂CH₃)₂][N(Si(CH₃)₃)₂]}₂

T. J. Boyle and B. L. Scott

Synopsis: The structure of lithium bis(trimethylsilyl)amide etherate has been determined at low temperature using improved metrical data.

Formula: [Li₂(C₆H₁₈NSi₂)₂(C₄H₁₀O)₂]

cif-access (organic compounds)

 

-Hydroxy-N-(4-nitrophenyl)phenethylamine

K. Chinnakali, H.-K. Fun, K. Sriraghavan and V. T. Ramakrishnan

Synopsis: In the structure of this compound, inversion-related molecules form O-HO hydrogen-bonded dimers which are linked by C-HO intermolecular hydrogen bonds to form an infinite chain along the b direction. Molecules in different chains are linked by N-HO hydrogen bonds.

Formula: C₁₄H₁₄N₂O₃

 

Triphenylphosphine Sulfide: a Redetermination at 150K

C. Foces-Foces and A. L. Llamas-Saiz

Synopsis: The structure of this compound was redetermined at 150 K in the search for new polymorphs or phase transitions. Like the analogous triphenylphosphonium methylide, only one polymorph is found at low and room temperature. This is in contrast to the selenium compound, which presents a different form at low temperature.

Formula: C₁₈H₁₅PS

 

1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane

W.-S. Li, S. V. Vatsadze, A. J. Blake and P. Mountford

Synopsis: The centrosymmetric title compound has the six-membered piperazine ring in the expected chair conformation. There are two intramolecular N-HN hydrogen bonds which give rise to a further two six-membered rings.

Formula: C₁₈H₂₄N₄

 

Bis(2-hydroxyethyl)(2-nitrobenzyl)ammonium Bromide

A. J. Blake, N. R. Champness, W.-S. Li, P. Mountford, M. Schröder and P. J. Wilson

Synopsis: This compound exhibits both intramolecular (N-HO) and intermolecular (O-HBr) hydrogen bonding. The latter results in the formation of infinite one-dimensional chains of alternating cations and anions.

Formula: C₁₁H₁₇N₂O₄⁺.Br^-

inorganic compounds

 

(NH₄)₂Na₃(V₃W₃O₁₉).12H₂O

Y. Xu, J.-Q. Xu, G.-Y. Yang, T.-G. Wang, Y. Xing, Y.-H. Lin and H.-Q. Jia

Synopsis: (NH₄)₂Na₃(V₃W₃O₁₉).12H₂O is a mixed V/W salt in which each V/W site has an approximately equal population of V and W atoms. The centrosymmetric polyanion consists of six (V/W)O₆ edge-sharing distorted octahedra sharing a common vertex.

Formula: (NH₄)₂Na₃(V₃W₃O₁₉).12H₂O

 

Diaquacobalt Tetracyanonickelate Tetrahydrate

T. Niu, G. Crisci, J. Lu and A. J. Jacobson

Synopsis: The structure of Co(H₂O)₂Ni(CN)₄.4H₂O consists of alternating metal cyanide sheets and layers of hydrogen-bonded water molecules.

Formula: Co(H₂O)₂Ni(CN)₄.4H₂O

 

Lithium Hexafluoroarsenate Monohydrate, LiAsF₆.H₂O

S. Loss and C. Röhr

Synopsis: LiAsF₆.H₂O is isostructural with NaPF₆.H₂O. The structure contains AsF₆ octahedra connected by water molecules via weak FH-O hydrogen bonds.

Formula: LiAsF₆.H₂O

metal-organic compounds

 

Dibromotriphenylantimony(V), a Second Polymorph

M. Webster

Formula: [SbBr₂(C₆H₅)₃]

 

(1,2-Benzenedicarbonitrile-N)diiodo(phthalocyaninato-⁴N)zirconium(IV)

R. Kubiak and K. Ejsmont

Formula: [ZrI₂(C₃₂H₁₆N₈)(C₈H₄N₂)]

 

Di--chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)]

N. Davidovic, D. Matkovic-Calogovic, Z. Popovic and I. Vedrina-Dragojevic

Formula: [Hg₂Cl₄(C₆H₇NS)₂]

 

[Er₂Al₂(OⁱPr)₁₂(HOⁱPr)₂], a Novel Heterobimetallic Alkoxide

M. Kritikos, M. Wijk and G. Westin

Formula: [Al₂Er₂(C₃H₇O)₁₂(C₃H₈O)₂]

 

A New Phase of Sodium Succinate Hexahydrate

N. Montserrat, V. Moreno, X. Solans and M. Font-Bardía

Formula: 2Na⁺.C₄H₄O₄^2-.6H₂O

 

The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(⁶-C₆H₆)(CO)₃]

J. M. Oh, S. J. Geib and N. J. Cooper

Formula: [W(C₆H₆)(CO)₃]

 

Polyol-Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo-Metal Net in a Carbohydrate-Bismuth(III) Complex

P. Klüfers and P. Mayer

Formula: Na₂[Bi_5/3(C₇H₁₁O₆)₂](OH).12H₂O

 

N,N-Dimethylformamide Complex of Aluminium(III) Perchlorate

H. Suzuki and S.-I. Ishiguro

Formula: [Al(C₃H₇NO)₆](ClO₄)₃

 

1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane 0.5-Dichloromethane Solvate

Rh. Ll. Thomas, A. J. Welch and G. O. Kyd

Formula: [Pt(C₈H₁₅B₉)(C₆H₁₅P)₂].0.5CH₂Cl₂

 

Triaquatris(-oxydiacetato)europium(III)lanthanum(III) Pentahydrate

R. Baggio, M. T. Garland and M. Perec

Formula: [EuLa(C₄H₄O₅)₃(H₂O)₃].5H₂O

 

(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide

A. K. Nurtaeva and E. M. Holt

Formula: [Cs(C₁₀H₂₀O₅)][Cu₂I₃], [K(C₁₀H₂₀O₅)][Cu₂I₃] and [Rb(C₁₀H₂₀O₅)][Cu₂I₃]

 

Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide

A. K. Nurtaeva, G. Hu and E. M. Holt

Formula: (C₈H₂₀N)[Cu₂I₃] and [K(C₁₂H₂₄O₆)][Cu₂I₃]

 

A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine

X. Xu, C. S. Allen, C.-L. Chuang and J. W. Canary

Formula: [Zn(C₂₁H₂₄N₄)](ClO₄)₂

 

A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands

M. D. Ward, K. L. V. Mann, J. C. Jeffery and J. A. McCleverty

Formula: [In₂Cl₄(C₈H₆N₃)₂(C₃H₇NO)₂].2C₃H₇NO

 

Dipotassium (2,2'-Bipyridyl-N,N')tetracyanoferrate(II) 2.5-Hydrate, K₂[Fe(bpy)(CN)₄].2.5H₂O

M. Nieuwenhuyzen, B. Bertram, J. F. Gallagher and J. G. Vos

Formula: K₂[Fe(CN)₄(C₁₀H₈N₂)].2.5H₂O

 

Diaquachlorobis(4-pyridinioacetate-O)copper(II) Perchlorate

Y.-L. Wu, Y.-X. Tong, X.-M. Chen and T. C. W. Mak

Formula: [CuCl(C₇H₇NO₂)₂(H₂O)₂]ClO₄

 

Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate

M. Parvez, P. M. Boorman and N. Langdon

Formula: (C₂₄H₂₀P)₂[W₆O₁₉].2CD₃CN

 

[Pd(HL)Cl₂] and [PdL₂], where HL is 2-(3-Pyrazolyl)pyridine

M. D. Ward, J. S. Fleming, E. Psillakis, J. C. Jeffery and J. A. McCleverty

Formula: [PdCl₂(C₈H₇N₃)] and [Pd(C₈H₆N₃)₂]

 

Bis[N-methylphenazinium(1+)] Tetranitropalladate(II)

H. Namgung, S.-B. Kim and I.-H. Suh

Formula: (C₁₃H₁₁N₂)₂[Pd(NO₂)₄]

 

Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol-³N)copper(II) Dichloride Tetrahydrate

G. J. Reiß, W. Frank, K. Hegetschweiler and D. Kuppert

Formula: [Cu(C₆H₁₅N₃O₃)₂]Cl₂.4H₂O

 

[Ni(C₁₀H₈N₂)₃]₂[V₄O₁₂].11H₂O

G.-Y. Yang, D.-W. Gao, Y. Chen, J.-Q. Xu, Q.-X. Zeng, H.-R. Sun, Z.-W. Pei, Q. Su, Y. Xing, Y.-H. Ling and H.-Q. Jia

Formula: [Ni(C₁₀H₈N₂)₃]₂[V₄O₁₂].11H₂O

 

Potassium 3-Formyl-2,4-dinitrophenolate Dihydrate

J. A. Paixão, A. Matos Beja, M. Ramos Silva, L. Alte da Veiga, A. M. D'A. Rocha Gonsalves and A. C. Serra

Formula: K⁺.C₇H₃N₂O₆^-.2H₂O

 

Two-Dimensional Stacking of Dichloro(dipyridophenazine)platinum(II)

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

Formula: [PtCl₂(C₁₈H₁₀N₄)]

 

2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 -)-O,N,O'}tris(3-methylpyridine-N)nickel(II)

M. N. Tahir, D. Ülkü, O. Atakol and Ö. Basgut

Formula: [Ni(C₁₄H₉N₃O₆)(C₆H₇N)₃]

 

Bis(2,6-di-tert-butyl-4-methylphenolato-O)(⁵-methylcyclopentadienyl)(tetrahydrofuran-O)ytterbium

Y. Yao, Q. Shen, J. Sun and F. Xue

Formula: [Yb(C₁₅H₂₃O)₂(C₆H₇)(C₄H₈O)]

 

Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-N)nickel(II) Complexes

K. Y. Choi, D. W. Kim, K.-H. Kim, M.-R. Oh and I.-H. Suh

Formula: 2[Ni(NCS)₂(C₁₄H₃₂N₄)].2C₂H₃N

organic compounds

 

1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'H)-pyrazol]-10-one

S. Banumathi, D. Velmurugan, R. Raghunathan and M. Shanmuga Sundaram

Formula: C₂₈H₂₀N₂O

 

Three Diphenyl Sulfones

J. Jeyakanthan, D. Velmurugan, K. Panneerselvam, M. Soriano-Garcia, S. Perumal and R. Chandrasekaran

Formula: C₁₄H₁₃NO₄S, C₁₅H₁₆O₂S and C₁₃H₁₂O₂S

 

9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

V. K. Ganesh, S. Banumathi, D. Velmurugan, N. Ramasubbu and V. T. Ramakrishnan

Formula: C₂₆H₂₅NO₃

 

(3-Bromo-1-phenylsulfonyl-2-indolyl)methyl Benzoate

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

Formula: C₂₂H₁₆BrNO₄S

 

Complexes Between L-Leucine and its Precipitants

K. Hasegawa, K. Ishikawa, R. Kawaoka, C. Sano, K. Iitani, H. Komatsu and N. Nagashima

Formula: C₆H₁₄NO₂⁺.C₈H₉O₃S^-.H₂O, C₆H₁₄NO₂⁺.C₈H₉O₃S^-.H₂O and C₆H₁₄NO₂⁺.C₇H₇O₃S^-.H₂O

 

10-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline and 10-Methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline

J. K. Ray, T. K. Mahato, K. Chinnakali, I. A. Razak and H.-K. Fun

Formula: C₁₈H₁₄ClN and C₁₉H₁₇N

 

1,4-Bis[3-(N-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine

R. Thirumurugan, S. Shanmuga Sundara Raj, G. Shanmugam, H.-K. Fun, M. Marappan and M. Kandaswamy

Formula: C₂₆H₃₆N₄O₂

 

endo-endo-anti Diels-Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene

J. G. Garcia and F. R. Fronczek

Formula: C₁₈H₁₂Cl₁₂O₂

 

Adenosine-5'-carboxylic Acid

G. S. Padiyar and T. P. Seshadri

Formula: C₁₀H₁₁N₅O₅

 

Ammonium Saccharin

S. W. Ng

Formula: NH₄⁺.C₇H₄NO₃S^-

 

Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride

H. Nakahara, M. Takeuchi, R. Naito, H. Kurihara, N. Nagano, Y. Isomura and T. Mase

Formula: C₁₅H₁₆N⁺.Cl^-

 

The Monoclinic Form of Acetaminophen at 150K

D. Yu. Naumov, M. A. Vasilchenko and J. A. K. Howard

Formula: C₈H₉NO₂

 

Structural Investigation of Biphenyl Derivatives

M. Nieger, H. Hupfer and M. Bolte

Formula: C₂₄H₃₀O₂, C₂₄H₂₈O and C₂₄H₂₆

 

6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester

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

Formula: C₉H₁₁N₅O₃

 

6,6'-Dimethyl-2,2'-bipyridyl

A. Sengül, M. B. Hursthouse, S. J. Coles and R. D. Gillard

Formula: C₁₂H₁₂N₂

 

5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin

S.-P. J. Huuskonen, G. S. Wilson and H. L. Anderson

Formula: C₅₈H₇₀N₄Si₂

 

⁴-7,7-Ethylenedioxy-10-methyloctal-1-one

M. C. Branco, A. M. GoncalvesD. Rodrigues, M. T. doP. Gambardella, R. M. Muzzi and H. M. C. Ferraz

Formula: C₁₃H₁₈O₃

 

7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1H-[1,3]oxazino[3,2-a][1,5]benzodiazepin-1-one

J. Xu, S. Jin, Z. Zhang and T. C. W. Mak

Formula: C₄₃H₃₂N₂O₃

 

2,2'-Bibenzoxazole

F. E. Hahn, L. Imhof and T. Lügger

Formula: C₁₄H₈N₂O₂

 

(2,4-Dichlorophenoxy)acetohydrazide

N. K. Lokanath, M. A. Sridhar, J. Shashidhara Prasad, H. S. Nagaraja and P. Mohan Rao

Formula: C₈H₈Cl₂N₂O₂

 

4-Methylspiro[4-azahomoadamantane-5,3'-[3'H]naphth[2,1-b][1,4]oxazine], a New Photochromic Spirooxazine

K. Chamontin, V. Lokshin, R. Guglielmetti, A. Samat and G. Pèpe

Formula: C₂₂H₂₄N₂O

 

4-Chloro-N-methyl-N-nitroaniline

K. Ejsmont, J. Kyziol, Z. Daszkiewicz and M. Bujak

Formula: C₇H₇ClN₂O₂

 

Phenyl 2-Pyridyl Ketone at 150K

M. Sievert, R. Dienelt and H. Bock

Formula: C₁₂H₉NO

 

Key Intermediates in the Synthesis of 2,2'-Biphosphole

O. Tissot, M. Gouygou, J.-C. Daran and G. Balavoine

Formula: C₁₂H₁₃Br₂OP, C₁₂H₁₃Br₂PS and C₁₂H₁₂BrPS

 

1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate

C. Rimbaud, P. Le Magueres, L. Ouahab, D. Lorcy and A. Robert

Formula: C₂₄H₂₂S₆²⁺.2I₃^- and C₂₆H₂₆O₂S₆²⁺.2ClO₄^-

 

2-Amino-3,5-dichloropyridinium Chloride Monohydrate

J. Anagnostis and M. M. Turnbull

Formula: C₅H₅Cl₂N₂⁺.Cl^-.H₂O

 

2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)

M. Kaftory, Y. Goldberg, S. Goldberg and M. Botoshansky

Formula: C₃₀H₂₀O₃, C₂₇H₂₂O₃ and C₂₇H₂₀O₆

 

3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives

M. Drouin, M. Dodier and L. Ruest

Formula: C₂₀H₃₂O₇, 2C₂₀H₃₂O₇.5.15H₂O, 2C₂₀H₃₂O₇.2.5H₂O, C₂₀H₃₂O₆.1.5H₂O and C₂₀H₂₈O₆

 

Chlorotricyclohexylsilane, C₁₈H₃₃ClSi

B. E. Lindfors, J. L. Male, D. R. Tyler and T. J. R. Weakley

Formula: C₁₈H₃₃ClSi

 

(E)-1-(3-Methoxy-4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene

D. F. Mullica, K. G. Pinney, P. Mejia, B. E. Rosenquist and E. L. Sappenfield

Formula: C₁₈H₁₉NO₆

addenda and errata

 

4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9H--carboline. Erratum

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

Formula:

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