Crystal Structure Communications

 

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

 

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 [Ti₃Te₁₁^3-] 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

 

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

 

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

The allyl complex di--chloro-bis{[(1,2,3-)-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

 

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

 

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

 

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

 

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

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

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

Formula: [Ag(C₁₂H₁₀N₂)]NO₃

Online September 2000

 

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

 

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

 

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

Isolierte I₁₀^2--Ringe, ein neues Strukturelement in der Polyiodid-Chemie

C. Wieczorrek

Formula: [Cd(C₈H₁₆O₄)₂]I₁₀

Online September 2000

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

Threefold interweaving of (4,4) nets built from R(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

 

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

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

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

Formula: C₉H₁₀N₂O₅·2H₂O and C₉H₁₀N₂O₅·H₂O

Online September 2000

 

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

 

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

C-H 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

 

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

 

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

 

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

 

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

 

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

Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two -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

 

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

Two diastereomers of ()-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

 

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

 

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

 

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

 

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

 

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

From -carbamoyl--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

 

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

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

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

Formula: C₂₄H₂₈O₈

Online September 2000

 

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

 

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

 

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

 

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

 

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

-Aqua-pentaaqua[-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

 

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

 

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

catena-Poly[[[bis(perchlorato-O)(1,10-phenanthroline-N,N')copper(II)]--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

 

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

 

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

 

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

catena-Poly[[bis(nitrato)(pyrimidine)copper(II)]--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 Cu^II atoms and a second pyrimidine ligand coordinated in a monodentate manner. The coordination geometry around the Cu^II atom is a distorted octahedron including a long CuO bond.

Formula: [Cu(NO₃)₂(C₄H₄N₂)₂]

Online September 2000

 

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 Sn^IV 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

 

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

Redetermination of hexacarbonyl(⁵-cyclopentadienyl)bis(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 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

 

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

 

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

[Tris(2-aminoethyl)amine-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 Co^III. 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

 

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 -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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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-HF and intermolecular O-HO interactions form a bifurcated hydrogen bond which produces a supramolecular assembly of head-to-tail dimers.

Formula: C₁₄H₁₄BrF₃O₂

Online September 2000

 

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 [NO = 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

 

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

 

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

 

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-HO intermolecular hydrogen bonds in (I), and N-HO and C-HO 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

 

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-HO and C-HO hydrogen bonds link the molecules into continuous two-dimensional sheets parallel to the (100) plane.

Formula: C₃H₆ClNO

Online September 2000

 

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

 

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 position.

Formula: C₂₀H₂₄O₄

Online September 2000

 

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⁺·SO₄^2-·2H₂O

Online September 2000

 

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

 

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-(-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