Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 1 (January 1998)

Cover illustration: Bis\[bis(triphenylphosphine)iminium\] Di-mu-thio-bis\[(pentasulfido)ferrate(III)\], see van Hal and Whitmire (1997). Acta Cryst. C53, IUC9700008. Displacement ellipsoids are shown at the 50% probability level and H atoms have been omitted for clarity.

• cif-access (metal-organic compounds)
• cif-access (organic compounds)
• editorial
• inorganic compounds
• metal-organic compounds
• organic compounds
• international union of crystallography

cif-access (metal-organic compounds)

 

(3aS,4S)-(+)-[-1(O,4,5,-):2(1,2,3,3a,7a-)-5-benzylidene-6,7-dihydro-4(5H)-indenone]tricarbonyl-1³C-[2(⁵)-cyclopentadienyl]diiron

C. Kempmann, R. Grosser, M. Schürmann, H. Preut and P. Eilbracht

Synopsis: This compound is used for the transfer of a tricarbonyliron unit to prochiral dienes to generate optically active diene complexes. It is obtained by condensation of ferroceno[1,2]cyclohex-1-en-3-one with benzaldehyde and subsequent treatment with nonacarbonyliron.

Formula: [Fe₂(C₅H₅)(C₁₆H₁₃O)(CO)₃]

cif-access (organic compounds)

 

4-Azidobenzenesulfonyl Chloride

B. Ziemer and E. Sauer

Synopsis: 4-Azidobenzenesulfonyl chloride is used as a raw material for the esterification of aliphatic and aromatic mono- and poly- functional alcohols in the preparation of mono-, di- and triazido compounds such as those used in the lithographic structuring of polymers.

Formula: C₆H₄ClN₃O₂S

editorial

 

Editorial

S.R. Hall

inorganic compounds

 

Pb₂Fe₂Ge₂O₉, the Germanate Analogue of the Silicate Mineral Melanotekite

J. Barbier and D. Lévy

Synopsis: Pb₂Fe₂Ge₂O₉ is isostructural with melanotekite, Pb₂Fe₂Si₂O₉, and is built up of zigzag chains of edge-sharing FeO₆ octahedra, linked via Ge₂O₇ groups and Pb^II cations. The stereoactivity of the Pb^II electron lone pairs is revealed by the strongly anisotropic displacement of one O atom.

Formula: Pb₂Fe_1.78Ge_2.11Mg_0.11O₉

 

Ga₃PO₇

S. Boudin and K.-H. Lii

Synopsis: Ga₃PO₇ was synthesized by high-temperature, high-pressure hydrothermal synthesis. Its structure, isotypic with the iron phosphate Fe₃PO₇, consists of clusters of three edge-sharing GaO₅ trigonal bipyramids linked through PO₄ tetrahedra.

Formula: Ga₃PO₇

 

Un Monophosphate Synthétique de Sodium et de Cobalt: Na₄Co₇(PO₄)₆

D. Kobashi, S. Kohara, J. Yamakawa et A. Kawahara

Synopsis: Na₄Co₇(PO₄)₆ is isostructural with Na₄Ni₇(PO₄)₆. The structure contains CoO₆ and CoO₄ polyhedra and PO₄ tetrahedra connected by corner and edge sharing to form a three-dimensional network. The Na⁺ ions occupy tunnels running parallel to the a axis.

Formula: Na₄Co₇(PO₄)₆

 

(NH₄)₃[PMo₁₂O₄₀].21H₂O

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

Synopsis: The determination of the structure of (NH₄)₃[PMo₁₂O₄₀].- 21H₂O shows that the polyanion has a pseudo-Keggin structure.

Formula: (NH₄)₃[PMo₁₂O₄₀].21H₂O

 

LaAl_2.03(B₄O₁₀)O_0.54

P. Yang, W. Yu, J. Y. Wang, J. Q. Wei and Y. G. Liu

Synopsis: Lanthanum aluminium borate has been found to be isostructural with hexagonal NdAl_2.07(B₄O₁₀)O_0.6. Each La ion is coordinated by six O atoms to form a trigonal prism, while each Al is coordinated by five O atoms to form a pyramid.

Formula: LaAl_2.03B₄O_10.54

metal-organic compounds

 

1-[Chloro(diphenylphosphino)gold(I)-P]-2-phenyl-1,2-dicarba-closo-dodecaborane(12)

M. A. McWhannell, G. M. Rosair and A. J. Welch

Formula: [AuCl(C₂₀H₂₅B₁₀P)]

 

cis-Diamminechloro(2,5-dimethylbenzoxazole-N¹)platinum(II) Nitrate

G. F. Restrepo, C. L. Barnes, M. E. Cádiz, E. Olivero and S. D. Huang

Formula: [PtCl(NH₃)₂(C₉H₉NO)]NO₃

 

Bis[-methylenebis(diphenylphosphine)-P:P']disilver(I) Diperchlorate Bis(dichloromethane) Solvate

B. Ahrens and P. G. Jones

Formula: [Ag₂(C₂₅H₂₂P₂)₂](ClO₄)₂.2CH₂Cl₂

 

Tetrakis(acetonitrile-N)copper(I) Tetrafluoroborate

P. G. Jones and O. Crespo

Formula: [Cu(C₂H₃N)₄]BF₄

 

[N,N'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-tert-butylsalicylideneiminato)]cobalt(II)

D. K. Lyon, B. E. Miller, W. K. Miller, D. R. Tyler and T. J. R. Weakley

Formula: [Co(C₃₆H₅₄N₂O₂)]

 

Bis[2,3-butanedione dioximato(1-)-N,N'](pyridine){[(R)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III)

J. L. Gage, T. J. R. Weakley and B. P. Branchaud

Formula: [Co(C₉H₁₂N)(C₄H₇N₂O₂)₂(C₅H₅N)]

 

(C-meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-N¹-acetato-N,N',N'',N''',O)copper(II) Bromide Monohydrate

K. Panneerselvam, T.-H. Lu, T.-Y. Chi, C.-S. Chung, Y.-J. Chen and K.-S. Kwan

Formula: [Cu(C₁₈H₃₇N₄O₂)]Br.H₂O

 

Platinum(II) Complexes of Piperazine (and Derivatives): trans-Dichlorobis(N-methylpiperazine-N')platinum(II)

A. Marzotto, D. A. Clemente and G. Valle

Formula: [PtCl₂(C₅H₁₂N₂)₂]

 

(Tb_0.9,Er_0.1)₄TiO(OⁱPr)₁₄, a Novel Pentanuclear Oxo-Alkoxide

M. Moustiakimov, M. Kritikos and G. Westin

Formula: [Er_0.4Tb_3.6TiO(C₃H₇O)₁₄]

 

Bis(4-methoxybenzaldehyde thiosemicarbazonato-S,N⁴)copper(II)

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

Formula: [Cu(C₉H₁₀N₃OS)₂]

 

Aqua(dicyanonitrosomethanido-O)bis(1,10-phenanthroline-N,N')copper(II) Dicyanonitrosomethanide

D. Miklos, I. Potocnák, M. Dunaj-Jurco and L. Jäger

Formula: [Cu(C₃N₃O)(C₁₂H₈N₂)₂(H₂O)](C₃N₃O)

 

An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C₂B₉H₁₀(SMe₂)}₂]

J. Plesek, B. Stíbr, P. A. Cooke, J. D. Kennedy, T. D. McGrath and M. Thornton-Pett

Formula: [Fe(C₄H₁₆B₉S)₂]

 

catena-Poly[diaquabis(nicotinamide-N¹)copper(II)--sulfato-O:O']

B. Kozlevcar, I. Leban, J. Sieler and P. Segedin

Formula: [Cu(SO₄)(C₆H₆N₂O)₂(H₂O)₂]

 

A Cyano-Bridged Ionic Pair Complex: [FeNd₂(CN)₆(C₁₀H₈N₂)₄(H₂ O)₈][Fe(CN)₆].8H₂O

T. Yi, S. Gao, X.-W. Chen, C.-H. Yan and B.-G. Li

Formula: [FeNd₂(CN)₆(C₁₀H₈N₂)₄(H₂O)₈][Fe(CN)₆].8H₂O

 

[FeHCl(C₁₀H₂₄P₂)₂]

B. Wiesler, F. Tuczek, C. Näther and W. Bensch

Formula: [FeHCl(C₁₀H₂₄P₂)₂]

 

trans-Bis(acetylacetonato-O,O')(3-methylpyridine-N)nitrocobalt(III)

H. Miyazaki, M. Tsuchimoto and S. Ohba

Formula: [Co(C₅H₇O₂)₂(NO₂)(C₆H₇N)]

 

Structure of the Chromium(III) Salt [Cp^*₂Cr]⁺[Cp^*CrCl₃]^-

S. Aldridge, M. Shang and T. P. Fehlner

Formula: [Cr(C₁₀H₁₅)₂][CrCl₃(C₁₀H₁₅)]

 

First Hg^II--Thiocaprolactam Complex

M. E. Nuñez Gaytán, S. Bernès, E. R. de San Miguel Guerrero, J. P. Bernal U. and J. De Gyves

Formula: [HgCl₂(C₆H₁₁NS)₂]

 

Dichlorobis(1,3-imidazolidine-2-thione-S)cadmium(II)

A. R. Al-Arfaj, J. H. Reibenspies, A. A. Isab and M. S. Hussain

Formula: [CdCl₂(C₃H₆N₂S)₂]

 

(2,3-Dioxoindolinyl-N)(triphenylphosphine-P)gold(I)

A. V. Churakov, L. G. Kuz'mina, J. A. K. Howard and K. I. Grandberg

Formula: [Au(C₈H₄NO₂)(C₁₈H₁₅P)]

organic compounds

 

Conformational Polymorphs of Acetone Tosylhydrazone

C. R. Ojala, W. H. Ojala, S. Y. Pennamon and W. B. Gleason

Formula: Two polymorphs of C₁₀H₁₄N₂O₂S

 

By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole and 1,2-Bis(p-toluenesulfono)hydrazide

C. R. Ojala, W. H. Ojala and W. B. Gleason

Formula: C₁₃H₁₈N₂O₂S and C₁₄H₁₆N₂O₄S₂

 

Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone

W. H. Ojala and W. B. Gleason

Formula: C₁₂H₁₆N₂O₂S and C₁₃H₁₈N₂O₂S

 

Methoxyamericanolide B

P. L. Richardson, A. D. Rodríguez, A. Boulanger and S. D. Huang

Formula: C₁₆H₂₀O₅

 

erythro-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane

R. Alarcòn, O. Cox, L. A. Rivera and S. D. Huang

Formula: C₁₅H₉Br₂ClN₂O₂S

 

N-(o-Tolyl)-2-bromo-4,5-dimethoxybenzamide

J. Rivera-Gandia, N. Morales, O. Cox and S. D. Huang

Formula: C₁₆H₁₆BrNO₃

 

A 2-Alkyl Substituted 2,3,1-Benzodiazaborine

P. D. Robinson, M. P. Groziak and L. Chen

Formula: C₈H₉BN₂O

 

Exclusivity of the sp Rotamers of 9-(o-tert-Butylphenyl)fluorene and 9-(o-tert-Butylphenyl)-9-fluorenol in Solution and the Crystalline State

P. D. Robinson, Y. Hou, H. G. Lutfi and C. Y. Meyers

Formula: C₂₃H₂₂O and C₂₃H₂₂

 

First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative

Y. Kawai, J. Kunitomo and A. Ohno

Formula: C₂₈H₂₃Br₂N₃O₂.CH₄O

 

3-[(Z)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one

C. Bozzo, M. D. Pujol, X. Solans and M. Font-Bardia

Formula: C₁₄H₁₅NO₃

 

Ismine

F. Viladomat, C. Codina, J. Bastida, X. Solans and M. Font-Bardia

Formula: C₁₅H₁₅NO₃

 

O-Phospho-L-tyrosine

T. Suga, C. Inubushi and N. Okabe

Formula: C₉H₁₂NO₆P

 

Chiral Hydroxylamines. V. (2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine

P. Merino, F. L. Merchan, T. Tejero and A. Lanaspa

Formula: C₁₆H₂₆N₂O₃

 

Trimethyl Isocyanurate and Triethyl Isocyanurate

V. R. Thalladi, A. K. Katz, H. L. Carrell, A. Nangia and G. R. Desiraju

Formula: C₆H₉N₃O₃ and C₉H₁₅N₃O₃

 

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

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

Formula: C₁₉H₃₀O₃

 

4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione

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

Formula: C₁₉H₂₆O₄

 

Ethyl (E)-2-Furyl-2-(hydroxyimino)acetate

D. Ülkü, M. N. Tahir, A. S. Demir and H. Aksoy-Çam

Formula: C₈H₉NO₄

 

Intermediates in the Synthesis of (+)-Grandisol. II

J. Zukerman-Schpector and H. J. Monteiro

Formula: C₁₄H₁₆O₃S

 

N,N'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL

I. Vencato, A. Neves, M. Scarpellini and V. R. Correia

Formula: C₁₃H₁₈N₆O

 

2,2,6,6-Tetramethyl-4-oxopiperidinium Bis(pentafluorophenyl)phosphinate

C. F. Campana, K. W. Oliver, S. J. Rettig, R. C. Thompson, J. Trotter and S. Xia

Formula: C₉H₁₈NO⁺.C₁₂F₁₀O₂P^-

 

N-Phenyl-N-(phenylthioxomethyl)benzamide

T. Y. Fu, J. R. Scheffer and J. Trotter

Formula: C₂₀H₁₅NOS

 

Photocleavage Reactions of Monothioimides

T. Y. Fu, J. R. Scheffer and J. Trotter

Formula: C₂₂H₁₉NOS, C₂₂H₁₈BrNOS, C₂₄H₂₂BrNOSand C₂₃H₂₁NO₂S

 

Bis(4-butoxyphenyl) Terephthalate

R. Centore and A. Tuzi

Formula: C₂₈H₃₀O₆

 

(Z)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydroisobenzofuran

R. K. Thalji, B. Ramos, J. G. Garcia and F. R. Fronczek

Formula: C₂₃H₁₆O

 

(R,R)-(-)-trans-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane

K. Nishikawa, H. Tsukada, S. Abe, S. Misaki and N. Yasuoka

Formula: C₃₄H₃₄O₄

 

8-Hydroxy-11,13-dihydrozaluzanin C

H. Kakuda, A. M. Helal, N. Nakamura and M. Hattori

Formula: C₁₅H₂₀O₄

 

Diethyl 3,7-Hypoxanthyldiacetate

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

Formula: C₁₃H₁₆N₄O₅

 

Photochemistry of Triptycene-1,4-quinone

T. Y. Fu, J. N. Gamlin, G. Olovsson, J. R. Scheffer, J. Trotter and D. T. Young

Formula: C₂₀H₁₂O₂ and C₂₀H₁₂O₃

 

N-Benzyl-3-benzylideneisoindolin-1-one

M. W. Khan, S. Guha, A. K. Mukherjee and N. G. Kundu

Formula: C₂₂H₁₇NO

 

9-(Triphenylphosphine-P)-arachno-6-thiadecaborane(11) Trichloromethane (1/1)

P. A. Cooke, J. Holub, J. D. Kennedy, B. Stíbr and M. Thornton-Pett

Formula: C₁₈H₂₆B₉PS.CHCl₃

 

3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone

S. Mukherjee, V. S. Parmar and W. Errington

Formula: C₁₂H₁₄O₆

 

Chasmanthinine

M. Parvez, W. Gul and S. Anwar

Formula: C₃₆H₄₉NO₉

 

'-Diselenocyanato-ortho-xylene

S. L. W. McWhinnie, A. B. Brooks and I. Abrahams

Formula: C₁₀H₈N₂Se₂

 

1-[N-(4-Methyl-2-pyridyl)aminomethylidene]-2(1H)-naphthalenone

Y. Elerman, M. Kabak, A. Elmali and I. Svoboda

Formula: C₁₇H₁₄N₂O

 

N-H(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene

V. Bennis and J. F. Gallagher

Formula: C₂₄H₂₂N₄

 

3-Methoxy-2,4,6-triphenylpyridine at 173K

M. Bolte

Formula: C₂₄H₁₉NO

 

7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2H-1-benzopyran

S. Ray, S. Sarkhel, P. R. Maulik, E. Lobkovsky and J. Clardy

Formula: C₂₄H₂₂O₃

 

5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one

G. E. H. Elgemeie, N. Hanfy, H. Hopf and P. G. Jones

Formula: C₉H₉N₃O₃S

 

4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate

D.-C. Zhang, T.-Z. Zhang, Y.-Q. Zhang, L.-Q. Ge and K.-B. Yu

Formula: C₁₆H₁₈NO₂⁺.BF₄^-

 

4,9-Dihydroxy-4,9-dimethyl-4H,9H-1,2,5,6,6a,7,8-heptahydroimidazo[1,2,3-i,j][1,8]naphthyridinium Benzoate

J.-H. Zhang, X.-A. Chen, Y. Li and Z.-T. Huang

Formula: C₁₂H₂₁N₂O₂⁺.C₇H₅O₂^-

 

Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion

H. Hosomi, Y. Ito and S. Ohba

Formula: 2NH₄⁺.C₄H₂O₄^2- and 2C₃H₁₀N⁺.C₄H₂O₄^2-

 

(±)-7,7,9,9-Tetramethyl-2,3:4,5-dinaphtho-1,6,8-trioxa-7,9-disilacyclonona-2,4-diene

Q. Liu, M. Ding, Y. Lin and Y. Xing

Formula: C₂₄H₂₄O₃Si₂

 

2-(5-Chloro-2-nitrophenylthio)nicotinoyl Chloride

J. G. Garcia, S. H. Haydar, A. P. Krapcho, Y.-H. Liu and F. R. Fronczek

Formula: C₁₂H₆Cl₂N₂O₃S

 

3,3''-Dimethyl-1,1':4',1''-terphenyl

T. D. Avery, D. K. Taylor and E. R. T. Tiekink

Formula: C₂₀H₁₈

 

2,2'-Bipyridine 1,1'-Dioxide

H. Kanno, Y. Omotera and K. Iijima

Formula: C₁₀H₈N₂O₂

 

endo-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal

R. W. Gable, D. A. Lowe and J. Tsanaktsidis

Formula: C₁₂H₁₀Br₂O₃

international union of crystallography

 

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