Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 9 (September 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: A perspective view of the molecular packing in catena-poly[[silver(I)-[mu]-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']] nitrate]. See Tong & Chen [Acta Cryst. (2000), C56, 1075-1076].

inorganic compounds


 

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Acta Cryst. (2000). C56, 1057-1058  [ doi:10.1107/S0108270100009021 ]

A new orthoborate, Sr3Ga3(BO3)4O(OH)

J. Barbier and H. Park

Synopsis: Sr3Ga3(BO3)4O(OH) represents a new ortho-borate structure type containing the uncommon square-pyramidal GaO4OH unit.

Formula: Sr3Ga3(BO3)4O(OH)

Online September 2000


 

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Acta Cryst. (2000). C56, 1059-1061  [ doi:10.1107/S0108270100009367 ]

Rb3Ti3Te11

F. Q. Huang and J. A. Ibers

Synopsis: The title compound is composed of one-dimensional [Ti3Te113-] chains built by face-sharing pentagonal TiTe7 bipyramids and distorted TiTe6 octahedra. These chains adopt hexagonal closest packing along the [101] direction. Rb atoms are located among these chains.

Formula: Rb3Ti3Te11

Online September 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 1062-1064  [ doi:10.1107/S010827010000826X ]

(2-Carbamoylethyl)bis(dimethylglyoximato-N,N')[(R)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-N,N')[2-(N-methylcarbamoyl)ethyl][methyl (S)-phenylalaninate-N]cobalt(III)

Y. Ohgo, Y. Ohashi, M. Hagiwara, M. Shida, Y. Arai, S. Takeuchi and Y. Ohgo

Formula: Two complexes of [Co(C4H7N2O2)]

Online September 2000


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Acta Cryst. (2000). C56, 1065-1066  [ doi:10.1107/S0108270100008799 ]

The allyl complex di-[mu]-chloro-bis{[(1,2,3-[eta])-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)}

A. L. Spek, J. Canisius, H. Preut and N. Krause

Formula: [Pd2(C11H17O3)2Cl2]

Online September 2000


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Acta Cryst. (2000). C56, 1067-1070  [ doi:10.1107/S0108270100008350 ]

Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)

D. D. Ellis and A. L. Spek

Formula: [NiCl(C18H15P)2]·C4H8O and [NiCl(C18H15P)3]

Online September 2000


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Acta Cryst. (2000). C56, 1071-1072  [ doi:10.1107/S0108270100008428 ]

trans-Bis(benzylamine)dichloropalladium(II) bis(dimethyl sulfoxide) solvate

A. Decken, G. L. Pisegna, C. M. Vogels and S. A. Westcott

Formula: [PdCl2(C7H9N)2]·2C2H6OS

Online September 2000


 

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Acta Cryst. (2000). C56, 1073-1074  [ doi:10.1107/S0108270100008532 ]

[H3N(CH2)5NH3]·AlP2O8H, a one-dimensional aluminophosphate

S. Phan Thanh, J. Marrot, J. Renaudin and V. Maisonneuve

Synopsis: The structure of the title compound, obtained solvothermally at 473 K, has been determined by single-crystal X-ray diffraction. It consists of one-dimensional [AlP2O8H]2- macroanions, connected to each other by pentanediammonium cations.

Formula: (C5H16N2)[AlP2O8H]

Online September 2000


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Acta Cryst. (2000). C56, 1075-1076  [ doi:10.1107/S0108270100008647 ]

catena-Poly[[silver(I)-[mu]-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']] nitrate]

M.-L. Tong and X.-M. Chen

Formula: [Ag(C12H10N2)]NO3

Online September 2000


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Acta Cryst. (2000). C56, 1077-1078  [ doi:10.1107/S0108270100009045 ]

Sodium 5-nitro-2-pyridonate trihydrate

M. Muthuraman, J.-F. Nicoud and M. Bagieu-Beucher

Formula: Na+·C5H3N2O3-·3H2O

Online September 2000


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Acta Cryst. (2000). C56, 1079-1081  [ doi:10.1107/S0108270100008829 ]

Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel

C. Wieczorrek

Formula: [Zn(C2H8N2)3](I3)I und [Ni(C2H8N)3](I3)I

Online September 2000


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Acta Cryst. (2000). C56, 1082-1084  [ doi:10.1107/S0108270100008817 ]

Isolierte I102--Ringe, ein neues Strukturelement in der Polyiodid-Chemie

C. Wieczorrek

Formula: [Cd(C8H16O4)2]I10

Online September 2000


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Acta Cryst. (2000). C56, 1085-1087  [ doi:10.1107/S0108270100008830 ]

Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer

C. Wieczorrek

Formula: [Cu(I3)2(C2H8N2)2]

Online September 2000


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Acta Cryst. (2000). C56, 1088-1089  [ doi:10.1107/S0108270100008787 ]

A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine

M. Aitali, L. El Firdoussi, A. Karim, A. F. Barrero and M. Quirós

Formula: [RuCl(C10H14)(C11H16N2)]Cl

Online September 2000


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Acta Cryst. (2000). C56, 1090-1091  [ doi:10.1107/S010827010000901X ]

Chloro(2-{[5-(2-hydroxybenzyl-O)-1,5-diaza-1-cyclooctyl-N,N']methyl}phenolato-O)cadmium(II)

M. Du, L.-H. Weng, X.-B. Leng, X.-H. Bu and R.-H. Zhang

Formula: [Cd(C20H25N2O2)Cl]

Online September 2000


 

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Acta Cryst. (2000). C56, 1092-1094  [ doi:10.1107/S0108270100009057 ]

A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium

K. Sun, M. S. Dadachov, T. Conradsson and X. Zou

Synopsis: A new three-dimensional open-framework germanate was hydrothermally synthesized and its structure determined by single-crystal X-ray diffraction. The framework is built of [Ge9O22(OH)4] units and contains intersecting channels in three directions formed by an eight- and two ten-membered rings.

Formula: (C2H8N2)(C2H10N2)2[Ge9O18(OH)4]

Online September 2000


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Acta Cryst. (2000). C56, 1095-1096  [ doi:10.1107/S0108270100008775 ]

Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)

D. R. Click, B. L. Scott and J. G. Watkin

Formula: [Sm(C9H9F5NSi)3(C4H8O)]

Online September 2000


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Acta Cryst. (2000). C56, 1097-1099  [ doi:10.1107/S0108270100008714 ]

A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III)

A. Elmali, E. Kavlakoglu, Y. Elerman and I. Svoboda

Formula: [FeCl(C20H12Br2N2O2)][FeCl(C20H12Br2N2O2)(H2O)]·C3H7NO

Online September 2000


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Acta Cryst. (2000). C56, 1100-1103  [ doi:10.1107/S0108270100006879 ]

Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)3]Te4 and [Fe(en)3]2(Sb2Se5)

Z. Chen, R.-J. Wang, X.-Y. Huang and J. Li

Formula: [Mn(C2H8N2)3]Te4 and [Fe(C2H8N2)3]2(Sb2Se5)

Online September 2000


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Acta Cryst. (2000). C56, 1104-1106  [ doi:10.1107/S0108270100009033 ]

Benzo-cis-cyclohexano-14-crown-4 and its lithium thiocyanate complex

J. C. Bryan and R. A. Sachleben

Formula: C18H26O4 and [Li(NCS)(C18H26O4)]

Online September 2000


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Acta Cryst. (2000). C56, 1107-1108  [ doi:10.1107/S0108270100009082 ]

Bis[tris(1,2-ethanediamine-N,N')nickel(II)] tetrathioantimonate(V) nitrate

M. Schur and W. Bensch

Formula: [Ni(C2H8N2)3]2(SbS4)(NO3)

Online September 2000


organic compounds


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Acta Cryst. (2000). C56, 1109-1112  [ doi:10.1107/S0108270199016455 ]

Two benzoylaminoacridinedione derivatives

J. Jeyakanthan, S. Shanmuga Sundara Raj, D. Velmurugan, H.-K. Fun, T. J. Rajan and V. T. Ramakrishnan

Formula: C20H20N2O3·H2O and C21H22N2O3·H2O

Online September 2000


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Acta Cryst. (2000). C56, 1113-1114  [ doi:10.1107/S0108270100009100 ]

2-(Nitromethylene)-1,3-dithietane

S. Shanmuga Sundara Raj, H. Surya Prakash Rao, L. Sakthikumar and H.-K. Fun

Formula: C3H3NO2S2

Online September 2000


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Acta Cryst. (2000). C56, 1115-1116  [ doi:10.1107/S0108270100006727 ]

(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzothiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate

V. Kettmann and J. Svetlik

Formula: C19H19N2OS+·Br-·0.5C3H7NO

Online September 2000


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Acta Cryst. (2000). C56, 1117-1119  [ doi:10.1107/S0108270100007290 ]

3-[(2-Oxo-1-naphthylidene)methylamino]benzoic acid

G. Pavlovic and J. M. Sosa

Formula: C18H13NO3

Online September 2000


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Acta Cryst. (2000). C56, 1120-1121  [ doi:10.1107/S0108270100007447 ]

tert-Butyl N-{2-[N-(N,N'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl}carbamate

R. Banerjee, S. K. Maji and A. Banerjee

Formula: C25H44N4O5

Online September 2000


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Acta Cryst. (2000). C56, 1122-1123  [ doi:10.1107/S0108270100007538 ]

4-[2-(4-Methoxyphenyl)ethenyl]-N-methylpyridinium tetraphenylborate

S.-J. Li, D.-C. Zhang, Z.-L. Huang, Y.-Q. Zhang and K.-B. Yu

Formula: C15H16NO+·C24H20B-

Online September 2000


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Acta Cryst. (2000). C56, 1124-1125  [ doi:10.1107/S0108270100007484 ]

3,5-Pyrazoledicarboxylic acid monohydrate

N. Ching, L. Pan, X. Huang and J. Li

Formula: C5H4N2O4·H2O

Online September 2000


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Acta Cryst. (2000). C56, 1126-1128  [ doi:10.1107/S010827010000771X ]

Threefold interweaving of (4,4) nets built from R{_{\bf 10}^{\bf 10}}(58) rings in the hydrogen-bonded adduct 1,4-diazabicyclo[2.2.2]octane-5-hydroxyisophthalic acid (1/1)

C. J. Burchell, G. Ferguson, A. J. Lough and C. Glidewell

Formula: C6H13N2+·C8H5O5-

Online September 2000


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Acta Cryst. (2000). C56, 1129-1131  [ doi:10.1107/S0108270100007794 ]

Solid-state transformation of 4,2'-anhydro-5-([beta]-D-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-([beta]-D-arabinofuranosyl)uracil monohydrate

J. W. Bats, U. Parsch and J. W. Engels

Formula: C9H10N2O5·2H2O and C9H10N2O5·H2O

Online September 2000


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Acta Cryst. (2000). C56, 1132-1135  [ doi:10.1107/S0108270100008015 ]

Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate

J. A. Paixão, A. Matos Beja, M. Ramos Silva and J. Martin-Gil

Formula: C6H8N+·H2PO3- and C6H8N+·C2HO4-·0.5H2O

Online September 2000


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Acta Cryst. (2000). C56, 1136-1138  [ doi:10.1107/S0108270100008441 ]

C-H...[pi] interactions in 9-(n-dodecylaminomethyl)anthracene

M. Ramos Silva, A. Matos Beja, J. A. Paixão, L. Alte da Veiga, A. J. F. N. Sobral, N. G. C. L. Rebanda and A. M. d'A. Rocha Gonsalves

Formula: C27H37N

Online September 2000


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Acta Cryst. (2000). C56, 1139-1141  [ doi:10.1107/S0108270100008271 ]

Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline

S. Boryczka and T. Steiner

Formula: C13H12NS2+·Cl-·H2O and C13H12NS2+·C2Cl3O2-

Online September 2000


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Acta Cryst. (2000). C56, 1142-1143  [ doi:10.1107/S0108270100008295 ]

4'-Vinyl-2,2':6',2''-terpyridine

X. Liu, C. A. Kilner, M. Thornton-Pett and M. A. Halcrow

Formula: C17H13N3

Online September 2000


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Acta Cryst. (2000). C56, 1144-1145  [ doi:10.1107/S0108270100008313 ]

2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-a:1',2'-d]pyrazinediylium dichloride dihydrate

N. Kosutic-Hulita, A. Danilovski, M. Malesevic, M. Oresic and M. Dumic

Formula: C16H20N2O2+·2Cl-·2H2O

Online September 2000


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Acta Cryst. (2000). C56, 1146-1147  [ doi:10.1107/S0108270100008489 ]

Ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate

P. Zhou, J. D. Fisher, R. J. Staples, A. Vij and N. R. Natale

Formula: C14H21NO5

Online September 2000


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Acta Cryst. (2000). C56, 1148-1151  [ doi:10.1107/S010827010000812X ]

Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two [alpha]-keto acids

C.-D. Chen, A. P. J. Brunskill, S. S. Hall, R. A. Lalancette and H. W. Thompson

Formula: C8H6O3 and C11H12O3

Online September 2000


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Acta Cryst. (2000). C56, 1152-1154  [ doi:10.1107/S0108270100008477 ]

Two diastereomers of (\pm)-cis-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid

J. M. Newman, H. W. Thompson and R. A. Lalancette

Formula: Two diastereomers of C15H20O4

Online September 2000


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Acta Cryst. (2000). C56, 1155-1156  [ doi:10.1107/S010827010000874X ]

The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile

G. Smith, R. C. Bott and D. E. Lynch

Formula: C7H7NO2·C7H6N2

Online September 2000


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Acta Cryst. (2000). C56, 1157-1158  [ doi:10.1107/S0108270100008593 ]

N-Methyl-DL-aspartic acid monohydrate

D. Madsen and P. Pattison

Formula: C5H9NO4·H2O

Online September 2000


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Acta Cryst. (2000). C56, 1159-1160  [ doi:10.1107/S010827010000860X ]

3,5-Bis[(N,N-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data

V. V. Chernyshev, V. A. Tafeenko, V. A. Makarov, E. J. Sonneveld and H. Schenk

Formula: C10H17N7O2

Online September 2000


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Acta Cryst. (2000). C56, 1161-1163  [ doi:10.1107/S0108270100008635 ]

Azole. 44. Über Morpholinonitroimidazolderivate

A. Gzella, U. Wrzeciono and W. Pöppel

Formula: C10H15ClN4O4

Online September 2000


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Acta Cryst. (2000). C56, 1164-1167  [ doi:10.1107/S0108270100008623 ]

From [alpha]-carbamoyl-[alpha]-cyanooxiranes to 3-halogenopyruvamides

N. Lah, I. Leban, A. Majcen-Le Maréchal, P. Le Grel, A. Robert, J. Sieler and G. Giester

Formula: C9H10ClNO3, C10H10BrNO2, C11H11BrN2O2 and C10H7ClN2O2

Online September 2000


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Acta Cryst. (2000). C56, 1168-1169  [ doi:10.1107/S0108270100008702 ]

1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-[beta]-L-altrofuranose

C. Taillefumier, C. Charron, Y. Chapleur and A. Aubry

Formula: C24H28O8

Online September 2000


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Acta Cryst. (2000). C56, 1170-1172  [ doi:10.1107/S0108270100008994 ]

3-(tert-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293 K

P. Luger, M. Weber, G. Szeimies and M. Pätzel

Formula: C11H17NO4

Online September 2000


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Acta Cryst. (2000). C56, 1173-1175  [ doi:10.1107/S0108270100008805 ]

(2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile

D. D. Ellis and A. L. Spek

Formula: C17H26O3 and C17H23NO

Online September 2000


addenda and errata


 

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Acta Cryst. (2000). C56, 1176  [ doi:10.1107/S0108270100005771 ]

On the structure of cadmium isopropylxanthate. Corrigendum

E. R. T. Tiekink

Synopsis: A full description for the structure of bis(O-isopropyldithiocarbonato)cadmium(II) is presented

Formula: [Cd(C4H7OS2)2]

Online September 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e368-e369  [ doi:10.1107/S0108270100010829 ]

Cs6Ta4S22

P. Stoll, C. Näther, I. Jeß and W. Bensch

Synopsis: The new caesium tantalum chalcogenide Cs6Ta4S22 was prepared from the reaction of Cs2S3, Ta and S. The compound is isotypic with Rb6Ta4S22 and A6Nb4S22 (A = Rb, Cs), and consists of discrete [Ta4S22]6- anions and Cs+ cations.

Formula: Cs6Ta4S22

Online September 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e370-e371  [ doi:10.1107/S0108270100010507 ]

[mu]-Aqua-pentaaqua[[mu]-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate

N.-D. Sung, K.-S. Yun, J.-G. Kim and I.-H. Suh

Synopsis: The title binuclear nickel(II) complex has a slightly distorted octahedral coordination. The pyridazine and two methylpyridine rings of the bridging tetradentate ligand are coplanar to within 0.181 (3) Å.

Formula: [Ni2Cl(C16H14N4)(H2O)6]Cl3·3H2O

Online September 2000


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Acta Cryst. (2000). C56, e372-e373  [ doi:10.1107/S0108270100010520 ]

Bis(acetato-O)tetrakis(imidazole-N3)nickel(II)

P. Naumov, M. Ristova, M. G. B. Drew and S. W. Ng

Synopsis: In the title compound, the Ni atom is bonded centrosymmetrically by four N and two O atoms in a distorted octahedral coordination. The acetate ligands form intermolecular hydrogen bonds to imidazole moieties, giving rise to a two-dimensional layer structure.

Formula: [Ni(C2H3O2)2(C3H4N2)4]

Online September 2000


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Acta Cryst. (2000). C56, e374-e375  [ doi:10.1107/S0108270100011057 ]

catena-Poly[[[bis(perchlorato-O)(1,10-phenanthroline-N,N')copper(II)]-[mu]-4,4'-bipyridine-N:N'] monohydrate]

M.-L. Tong, X.-M. Chen and S. W. Ng

Synopsis: The Cu atom in the title complex has an N4O2 octahedral coordination geometry, the Cu atoms being bridged by the bipyridine and chelated by the phenanthroline heterocycles. Adjacent molecules are linked into a zigzag chain running along the c axis of the monoclinic unit cell. The chains are connected through lattice water molecules to produce a layer structure.

Formula: [Cu(C12H8N2)(C10H8N2)(ClO4)2]·H2O

Online September 2000


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Acta Cryst. (2000). C56, e376-e377  [ doi:10.1107/S0108270100010593 ]

trans-Tetraaquabis(5-fluorouracil-1-acetato-O)zinc(II) tetrahydrate

C.-Z. Li, L.-F. Wang, Y.-Z. Li, C.-G. Xia and R.-B. Dai

Synopsis: In the title complex, the Zn atom is located at a center of symmetry and has a distorted octahedral geometry, with Zn-O distances in the range 2.052 (2)-2.181 (2) Å. Hydrogen bonds involving the water molecules make up a three-dimensional network.

Formula: [Zn(C6H4FN2O4)2(H2O)4]·4H2O

Online September 2000


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Acta Cryst. (2000). C56, e378-e379  [ doi:10.1107/S010827010001060X ]

Pentane and tetrahydrofuran solvates of trans-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P']molybdenum(II)

A. Filippou, P. Portius, A. Philippopoulos, G. Kociok-Köhn and B. Ziemer

Synopsis: In the title crystals, (IIIa) and (IIIb), respectively, the bonding parameters differ significantly. That also applies for the known structure of the corresponding dichloromethane solvate. Complex (IIIb) has a crystallographic centre of symmetry.

Formula: [MoCl2(C26H24P2)2]·0.5C5H12 and [MoCl2(C26H24P2)2]·2C4H8O

Online September 2000


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Acta Cryst. (2000). C56, e380-e381  [ doi:10.1107/S010827010001101X ]

catena-Poly[[bis(nitrato)(pyrimidine)copper(II)]-[mu]-pyrimidine-N:N']

I. Riggio, G. A. van Albada, I. Mutikainen, U. Turpeinen and J. Reedijk

Synopsis: The title compound crystallizes as a linear polymeric compound with one pyrimidine ligand bridging between two CuII atoms and a second pyrimidine ligand coordinated in a monodentate manner. The coordination geometry around the CuII atom is a distorted octahedron including a long Cu...O bond.

Formula: [Cu(NO3)2(C4H4N2)2]

Online September 2000


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Acta Cryst. (2000). C56, e382  [ doi:10.1107/S0108270100011021 ]

trans-Bis[ethane-1,2-dithiolato(2-)-S,S']bis(2-mercaptopyridine-S)tin(IV)

L.-M. Wu, L. Chen, J.-C. Dai, P. Lin, W.-X. Du and X.-T. Wu

Synopsis: The title compound is a monomeric trans-octahedral complex, with the SnIV atom at the centre of symmetry, planar 2-mercaptopyridine zwitterions and SnS2C2 groups in twist-envelope conformations. The 2-mercaptopyridine ligands are monodentate.

Formula: [Sn(C5H5NS)2(C2H4S2)2]

Online September 2000


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Acta Cryst. (2000). C56, e383-e384  [ doi:10.1107/S0108270100011033 ]

Redetermination of hexacarbonyl([eta]5-cyclopentadienyl)bis([mu]3-selenido)diiron(II)cobalt(II)

A. V. Virovets and S. N. Konchenko

Synopsis: The structure of the title compound was redetermined and the correct C2/c space group was assumed instead of the previously reported P\overline 1 space group. The two independent molecules reported for the triclinic cell are actually related by a twofold axis.

Formula: [CoFe2Se2(C5H5)(CO)6]

Online September 2000


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Acta Cryst. (2000). C56, e385-e387  [ doi:10.1107/S0108270100011045 ]

Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)

R. Corzo-Suárez, I. Díaz, S. García-Granda and V. Fernández

Synopsis: The structures of the two title compounds consist of discrete [CuCl4]2- anions with two monoprotonated C2N3H8+ cations for (I) and a diprotonated C8N4H142+ cation for (II). The [CuCl4]2- anions have flattened tetrahedral geometries.

Formula: (C2N3H8)2[CuCl4] and (C8N4H14)[CuCl4]

Online September 2000


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Acta Cryst. (2000). C56, e388-e389  [ doi:10.1107/S0108270100011069 ]

[Tris(2-aminoethyl)amine-[kappa]4N]chloro(dimethyl sulfoxide-O)cobalt(III) diperchlorate

X.-P. Hu, X.-L. Feng, J. Cai and L.-N. Ji

Synopsis: The title complex is the first crystal structure reported with dimethyl sulfoxide coordinated to CoIII. It crystallizes with two independent molecules in the asymmetric unit. A localized non-crystallographic inversion centre is observed between the two cations.

Formula: [CoCl(C6H18N4)(C2H6OS)](ClO4)2

Online September 2000


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Acta Cryst. (2000). C56, e390-e391  [ doi:10.1107/S0108270100011070 ]

[N-(Benzylidene)aniline-N]pentacarbonylchromium(0)

M. Nieger, P. Liptau and K. H. Dötz

Synopsis: The imino ligand displays weak [pi]-acceptor capabilities and, in contrast to Fischer-type carbene complexes, is not positioned on the bisecting line of the angle between two CO ligands.

Formula: [Cr(C13H11N)(CO)5]

Online September 2000


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Acta Cryst. (2000). C56, e392-e393  [ doi:10.1107/S0108270100011082 ]

cis,cis,cis-(Acetato-O,O')bis[1,2-bis(diphenylphosphino)ethane-P,P']ruthenium(II) hexafluorophosphate dimethanol solvate

N. T. Lucas, C. E. Powell and M. G. Humphrey

Synopsis: The cation of the title complex consists of an Ru atom in a pseudo-octahedral coordination environment, with two chelating 1,2-bis(diphenylphosphino)ethane (dppe) ligands and one chelating acetate ligand. The hexafluorophosphate anion and methanol solvate molecules are unexceptional.

Formula: [Ru(C2H3O2)(C26H24P2)2]PF6·2CH4O

Online September 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e394-e395  [ doi:10.1107/S0108270100010477 ]

1,7,8-Tri-O-acetyl-6-O-benzoylcastanospermine

G. J. Gainsford, P. C. Tyler and R. H. Furneaux

Synopsis: The fused six- and five-membered rings adopt chair and twist conformations, respectively, in the title catanospermine derivative.

Formula: C21H25NO8

Online September 2000


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Acta Cryst. (2000). C56, e396-e397  [ doi:10.1107/S0108270100010489 ]

5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one

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

Synopsis: In the title compound, the tropone ring is at an angle of 50.3 (1)° to the crown ether. The conformation of the ethereal moiety is S(g)C(g)C(t)O(t)C(g)C(t)O(t)C(g)C(t)O(t)C(g)C(g)S (t = trans, g = gauche). The CH2-O bonds are all trans, which is different to the case in the Hg complex of the title compound.

Formula: C15H20O4S2

Online September 2000


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Acta Cryst. (2000). C56, e398-e399  [ doi:10.1107/S0108270100010490 ]

Clarithromycin hydrochloride 3.5-hydrate

M. Parvez, M. S. Arayne, R. Sabri and N. Sultana

Synopsis: The absolute configuration was determined for the title compound. The cation contains a 14-membered macrocyclic lactone and two sugars, namely cladinose and desosamine. The six-membered rings of the sugars adopt chair conformations.

Formula: C38H70NO13+·Cl-·3.5H2O

Online September 2000


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Acta Cryst. (2000). C56, e400  [ doi:10.1107/S0108270100010519 ]

3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol

D. E. Lynch and K. A. Byriel

Synopsis: In the title compound, the dihedral angle between the two phenyl rings is 15.69 (6)°. An intermolecular hydrogen-bonding association exists between the hydroxy group and one of the azo N atoms.

Formula: C17H20N2O

Online September 2000


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Acta Cryst. (2000). C56, e401-e402  [ doi:10.1107/S0108270100010532 ]

3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one

L. Vijayalakshmi, V. Parthasarathi, B. Varu, N. Dodia and A. Shah

Synopsis: In the title compound, the naphthyl unit is planar and the benzopyran unit is nearly planar. These two moieties are inclined at an angle of 9.10 (6)° with respect to one another.

Formula: C23H15NO2

Online September 2000


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Acta Cryst. (2000). C56, e403-e404  [ doi:10.1107/S0108270100010544 ]

N-(p-Chlorobenzylidene)phenylamine N-oxide

L. Vijayalakshmi, V. Parthasarathi and P. Manishanker

Synopsis: In the title compound, there are two independent molecules in the asymmetric unit having essentially the same geometry, with central O-N-C-H torsion angles of -177.7 (1) and -178.4 (1)°, and with dihedral angles between the phenyl rings of 125.8 (6) and 126.1 (6)°.

Formula: C13H10ClNO

Online September 2000


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Acta Cryst. (2000). C56, e405  [ doi:10.1107/S0108270100010556 ]

3-(4-Bromophenyl)-2-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoropropan-2-ol

S. J. Coles and M. B. Hursthouse

Synopsis: The molecular structure of the title compound, which is an intermediate in the synthesis of trifluoromethyl-substituted naphthalenes, adopts a bent conformation. Intramolecular O-H...F and intermolecular O-H...O interactions form a bifurcated hydrogen bond which produces a supramolecular assembly of head-to-tail dimers.

Formula: C14H14BrF3O2

Online September 2000


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Acta Cryst. (2000). C56, e406-e407  [ doi:10.1107/S0108270100010568 ]

5-Fluoroindoline-2,3-dione

P. Naumov, F. Anastasova, M. G. B. Drew and S. W. Ng

Synopsis: In the title compound, the N atom of one molecule is linked to the amido-O atom of an adjacent molecule across a center of symmetry by a cyclic hydrogen bond [N...O = 2.888 (4) Å]. The molecule is planar and all bond distances and angles are normal, except for the elongated C(=O)-C(=O) single bond of 1.554 (4) Å.

Formula: C8H4FNO2

Online September 2000


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Acta Cryst. (2000). C56, e408-e409  [ doi:10.1107/S010827010001057X ]

2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one

A. Yu. Kovalevsky, I. I. Ponomarev and M. A. Baranova

Synopsis: The three title compounds, i.e. (I)-(III), respectively, are almost planar and show quite strong conjugation between the benzoxazine and nitroaryl moieties, with the exception of the carbonyl groups, which deviate from the planes of the benzoxazine rings and cause significant deviation of the bond angles around the carbonyl C atoms from 120°.

Formula: C14H8N2O4S, C16H10N2O4 and C18H14N2O6

Online September 2000


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Acta Cryst. (2000). C56, e410  [ doi:10.1107/S0108270100010611 ]

rac-2,3-Dibromosuccinic acid

M. Bolte and A. Degen

Synopsis: In the title compound, the C-C-C-C torsion angle of the molecular skelton is -52.7 (4)° and the tertiary H atoms attached to the central C atoms are in a trans arrangement. The hydroxyl groups form hydrogen bonds with the carbonyl O atoms of neighbouring molecules resulting in a three-dimensional framework.

Formula: C4H4Br2O4

Online September 2000


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Acta Cryst. (2000). C56, e411-e412  [ doi:10.1107/S0108270100010866 ]

Methylmalonamide and ethylmalonamide

J. Sakamoto, T. Nakagawa, N. Kanehisa, Y. Kai and M. Katsura

Synopsis: In the title compounds, (I) and (II), respectively, the amide groups are rotated out of the central C-C-C plane by ca 76° in (I) and by 70-73° in (II). Compound (I) has crystallographic mirror symmetry perpendicular to the molecular plane. There are N-H...O intermolecular hydrogen bonds in (I), and N-H...O and C-H...O intermolecular hydrogen bonds in (II), and each amide O atom acts as an acceptor in two hydrogen bonds.

Formula: C4H8N2O2 and C5H10N2O2

Online September 2000


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Acta Cryst. (2000). C56, e413  [ doi:10.1107/S0108270100011112 ]

3-Chloropropionamide

J. Sakamoto, T. Nakagawa, N. Kanehisa, Y. Kai and M. Katsura

Synopsis: In the title compound, determined in order to obtain coordinates for molecular-orbital calculations, intermolecular N-H...O and C-H...O hydrogen bonds link the molecules into continuous two-dimensional sheets parallel to the (100) plane.

Formula: C3H6ClNO

Online September 2000


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Acta Cryst. (2000). C56, e414  [ doi:10.1107/S0108270100011008 ]

A second triclinic modification of 2',6'-dimethoxyflavone

J.-C. Wallet, E. Molins and C. Miravitlles

Synopsis: The structure of a new triclinic modification of 2',6'-dimethoxyflavone is described. In total, it contains Z = 6 molecules of three geometries characterized by different torsion angles of the substituted phenyl ring.

Formula: C17H14O4

Online September 2000


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Acta Cryst. (2000). C56, e415  [ doi:10.1107/S0108270100011094 ]

3,17-Dioxoandrosta-4,6-dien-11-yl acetate

M. Uerdingen, M. Schürmann, H. Preut and N. Krause

Synopsis: The title compound is a steroid with a dienone structure and six stereogenic centers. The configuration of the 11 and 13 centres is R. These steroids are substrates for estradiol derivatives, bearing an alkyl chain in the 7[alpha] position.

Formula: C20H24O4

Online September 2000


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Acta Cryst. (2000). C56, e416-e417  [ doi:10.1107/S0108270100011100 ]

L-Kynureninium sulfate dihydrate

N. Okabe, Y. Eguchi, J. Miura and S. Akiko

Synopsis: The crystal structure of L-kynurenine, a well known tryptophan metabolite, has been determined as the sulfate. The molecule has a trans zigzag carbon-skeletal conformation and the two amino groups are protonated. The two amino and the carboxyl groups are located on the same side of the molecule. The crystal structure is stabilized by intermolecular hydrogen bonds involving the water molecules and the sulfate ion.

Formula: C10H14N2O32+·SO42-·2H2O

Online September 2000


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Acta Cryst. (2000). C56, e418-e419  [ doi:10.1107/S0108270100011124 ]

sp-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium

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

Synopsis: The title compound is the initially formed product from acetylation of 9-fluorenyllithium. Its structure is the sp rotamer whose acetyl group is not rotationally restricted but whose C-C=O plane is essentially perpendicular to the fluorene ring, in contrast to 9-pivaloylfluorene, which is rotationally restricted and exists exclusively as its ap rotamer.

Formula: C15H12O

Online September 2000


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Acta Cryst. (2000). C56, e420  [ doi:10.1107/S0108270100011148 ]

N-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-([beta]-D-glucopyranosyl)acetamide

J. N. Low, S. Molina, M. Nogueras, A. Sánchez and J. Cobo

Synopsis: The title compound shows no unusual features. The structure contains two molecules of water of crystallization.

Formula: C13H20N4O8·2H2O

Online September 2000


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