Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 10 (October 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: A dicationic gallium-oxo-hydroxide cage compound. Displacement ellipsoids are shown at the 35% probability level. See Swenson, Dagorne & Jordan [Acta Cryst. (2000), C56, 1213-1215].

inorganic compounds


 

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Acta Cryst. (2000). C56, 1177-1178  [ doi:10.1107/S0108270100009306 ]

Na3Ca2TaO6, a rock-salt superstructure phase with a fully ordered cation arrangement

H. Yamane, H. Takahashi, T. Kajiwara and M. Shimada

Synopsis: The title quaternary oxide, trisodium dicalcium tantalum hexaoxide, is isostructural with Li3Ni2TaO6, a partially ordered rock-salt phase. The Na, Ca and Ta atoms occupy octahedral sites in an orderly manner and form a cation-ordered superstructure.

Formula: Na3Ca2TaO6

Online October 2000


 

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Acta Cryst. (2000). C56, 1179-1180  [ doi:10.1107/S0108270100009586 ]

On the way to sol-gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H2O)4]

K. M. Fromm and H. Goesmann

Synopsis: A full single-crystal structure analysis of [Ba(OH)I(H2O)4] reveals intra- and intermolecular hydrogen bonding, leading to a three-dimensional network. The compound is an intermediate between BaI2 and the gel of Ba(OH)2(H2O)x.

Formula: [Ba(OH)I(H2O)4]

Online October 2000


 

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Acta Cryst. (2000). C56, 1181-1182  [ doi:10.1107/S0108270100010106 ]

Potassium sodium tin selenide, K3NaSn3Se8

X. Chen, X. Huang and J. Li

Synopsis: The structure of K3NaSn3Se8 is composed of tritetrahedral [Sn3Se8]4- anions, which are separated by four-coordinate Na+ and eight-coordinate K+ cations.

Formula: K3NaSn3Se8

Online October 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 1183-1184  [ doi:10.1107/S0108270100009094 ]

Tetra-n-butylammonium bis(1,2-dimercaptoethene-1,2-dicarbonitrilato-S,S')nickel(III)

T. Mochida, S. Suzuki, H. Moriyama, H. Terao and T. Sugawara

Formula: (C16H36N)[Ni(C4N2S2)2]

Online October 2000


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Acta Cryst. (2000). C56, 1185-1187  [ doi:10.1107/S010827010000929X ]

A novel PtII-dibenzo-18-crown-6 (DB18C6) complex

X. Li, J.-M. Dou, Y. Liu, L.-Y. Zhu and P.-J. Zheng

Formula: [K(C20H24O6)]2[Pt(SCN)4]

Online October 2000


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Acta Cryst. (2000). C56, 1188-1190  [ doi:10.1107/S0108270100009379 ]

([mu]-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate

M. A. de de Brito, A. J. Bortoluzzi, A. Greatti, A. S. Ceccato, A. C. Joussef and S. M. Drechsel

Formula: [Ni2(C33H29N4O3)(H2O)4]C2H3O2·C3H7NO·0.75H2O

Online October 2000


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Acta Cryst. (2000). C56, 1191-1192  [ doi:10.1107/S010827010000946X ]

trans-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-S,S')palladium(II)

K.-M. Park, I. Yoon, B. S. Yoo, J. B. Choi, S. S. Lee and B. G. Kim

Formula: [PdCl2(C20H26O2S2)]

Online October 2000


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Acta Cryst. (2000). C56, 1193-1195  [ doi:10.1107/S0108270100009756 ]

Bis(dimethyl sulfoxide-S)tetrakis([mu]-p-hydroxybenzoato-O:O')dirhodium(II)-tetrakis([mu]-butyrato-O:O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate

N. N. Sveshnikov, M. H. Dickman and M. T. Pope

Formula: [Rh2(C7H5O3)4(C2H6OS)2]·[Rh2(C4H7O2)4(C2H6OS)2]·2C2H6O

Online October 2000


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Acta Cryst. (2000). C56, 1196-1197  [ doi:10.1107/S0108270100009811 ]

Tetrabromo(2,6-dimethylpyridine-N)titanium(IV), a twinned crystal structure

K. Hensen, A. Lemke and M. Bolte

Formula: [TiBr4(C7H9N)]

Online October 2000


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Acta Cryst. (2000). C56, 1198-1200  [ doi:10.1107/S0108270100009999 ]

Two mixed-metal carboxylate-base adducts

Y. Cui, X. Zhang, F. Zheng, J. Ren, G. Chen, Y. Qian and J. Huang

Formula: [CaZn2(C3H5O2)6(C9H7N)2] and [CaCo2(C5H9O2)6(C9H7N)2]

Online October 2000


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Acta Cryst. (2000). C56, 1201-1203  [ doi:10.1107/S010827010001009X ]

Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II)

L. Gomes, C. Sousa, C. Freire and B. de Castro

Formula: [Ni(C19H20N2O4)(H2O)2]

Online October 2000


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Acta Cryst. (2000). C56, 1204-1205  [ doi:10.1107/S0108270100010167 ]

A ferrocenyl-substituted pseudotitanocene complex

P. Stepnicka, I. Císarová, M. Horácek and K. Mach

Formula: [TiFe(C5H5)2(C23H42Si4)]

Online October 2000


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Acta Cryst. (2000). C56, 1206-1207  [ doi:10.1107/S0108270100010222 ]

[mu]-Oxo-bis[(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)iron(III)] bis(dichloromethane) solvate

M. Li, M. Shang, H. F. Duval and W. R. Scheidt

Formula: [Fe2O(C44H24Br4N4)2]·2CH2Cl2

Online October 2000


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Acta Cryst. (2000). C56, 1208-1209  [ doi:10.1107/S0108270100007617 ]

Chloramine-B sesquihydrate

E. George, S. Vivekanandan and K. Sivakumar

Formula: Na+·C6H5ClNO2S-·1.5H2O

Online October 2000


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Acta Cryst. (2000). C56, 1210-1212  [ doi:10.1107/S0108270100009434 ]

A novel three-dimensional copper(II) network via hydrogen bonds: diaquabis[bis(pyrazol-1-yl-[kappa]N2)methane]copper(II) diperchlorate

L. Zhang, M. Du, L.-F. Tang, X.-B. Leng and Z.-H. Wang

Formula: [Cu(C7H8N4)2(H2O)2](ClO4)2

Online October 2000


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Acta Cryst. (2000). C56, 1213-1215  [ doi:10.1107/S0108270100009902 ]

A dicationic gallium-oxo-hydroxide cage compound

D. C. Swenson, S. Dagorne and R. F. Jordan

Formula: [Ga12(CH3)12O8(OH)6](C24F20B)2·2C6H5Cl·2H2O

Online October 2000


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Acta Cryst. (2000). C56, 1216-1217  [ doi:10.1107/S0108270100007733 ]

Astemizole tetrachlorocuprate(II)

M. Parvez and K. Braitenbach

Formula: (C28H33FN4O)[CuCl4]

Online October 2000


organic compounds


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Acta Cryst. (2000). C56, 1218-1219  [ doi:10.1107/S0108270100007629 ]

Hydrogen bonds and C-H...O interactions in N-(2-hydroxy-1,1-dimethylethyl)benzamide at 150 K

R. E. Gerkin

Formula: C11H15NO2

Online October 2000


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Acta Cryst. (2000). C56, 1220-1221  [ doi:10.1107/S010827010000843X ]

2,4,5,7-Tetramethylphenanthrene at 150 K

R. E. Gerkin

Formula: C18H18

Online October 2000


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Acta Cryst. (2000). C56, 1222-1224  [ doi:10.1107/S0108270100009781 ]

Hydrogen bonding and C-H...O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150 K

R. E. Gerkin

Formula: C19H16O2

Online October 2000


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Acta Cryst. (2000). C56, 1225-1227  [ doi:10.1107/S0108270100008349 ]

The antifolate trimetrexate: observation of the enzyme-binding conformation

A. Hempel, N. Camerman, D. Mastropaolo and A. Camerman

Formula: 4C19H23N5O3·2C2H6OS·3H2O

Online October 2000


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Acta Cryst. (2000). C56, 1228-1231  [ doi:10.1107/S0108270100008416 ]

Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds

S. K. Metcalf and E. M. Holt

Formula: C22H29NO7 and two isomers of C21H27NO6

Online October 2000


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Acta Cryst. (2000). C56, 1232-1233  [ doi:10.1107/S0108270100008404 ]

A synchrotron-radiation study of the lactone form of rhodamine B at 120 K

Å. Kvick, G. B. M. Vaughan, X. Wang, Y. Sun and Y. Long

Formula: C28H30N2O3

Online October 2000


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Acta Cryst. (2000). C56, 1234-1235  [ doi:10.1107/S0108270100008611 ]

Bis(4-propargyloxy-3-quinolylthio)methane

S. Boryczka, A. M. M. Schreurs, J. Kroon and T. Steiner

Formula: C25H18N2O2S2

Online October 2000


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Acta Cryst. (2000). C56, 1236-1237  [ doi:10.1107/S0108270100009276 ]

trans-cis S-Benzyl dithiocarbazate

S. Shanmuga Sundara Raj, B. M. Yamin, Y. A. Yussof, M. T. H. Tarafder, H.-K. Fun and K. A. Grouse

Formula: C8H10N2S2

Online October 2000


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Acta Cryst. (2000). C56, 1238-1239  [ doi:10.1107/S0108270100010180 ]

4-(N-Hydroxyethyl-N-methylamino)benzaldehyde thiosemicarbazone

S. Shanmuga Sundara Raj, H.-K. Fun, X.-J. Zhang, Y.-P. Tian, F.-X. Xie and J.-L. Ma

Formula: C11H16N4OS

Online October 2000


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Acta Cryst. (2000). C56, 1240-1241  [ doi:10.1107/S0108270100009318 ]

2,4-Bis(o-tolyl)-3-azabicyclo[3.3.1]nonan-9-one

L. Vijayalakshmi, V. Parthasarathi, M. Venkatraj and R. Jeyaraman

Formula: C22H25NO

Online October 2000


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Acta Cryst. (2000). C56, 1242-1244  [ doi:10.1107/S0108270100009392 ]

trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te-S bonds

S. Husebye and K. W. Törnroos

Formula: C10H20Cl4N4S2Te

Online October 2000


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Acta Cryst. (2000). C56, 1245-1246  [ doi:10.1107/S0108270100009471 ]

The addition-reaction product of 1,1,1,4,4,4-hexachloro-1,4-disilabutane with N-methylimidazole

K. Hensen, B. Spangenberg and M. Bolte

Formula: C26H40Cl4N12Si22+·2Cl-

Online October 2000


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Acta Cryst. (2000). C56, 1247-1250  [ doi:10.1107/S0108270100009495 ]

Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt

K.-L. Park, B.-G. Moon, S.-H. Jung, J.-G. Kim and I.-H. Suh

Formula: C24H23N4O4S+·Cl-·C24H22N4O4S

Online October 2000


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Acta Cryst. (2000). C56, 1251-1253  [ doi:10.1107/S0108270100009550 ]

Two crystalline modifications of 2-hydroxycyclopent-2-enone

J. A. Gerrard, S. J. Meade, J. C. Morris and P. J. Steel

Formula: Two crystalline forms of C5H6O2

Online October 2000


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Acta Cryst. (2000). C56, 1254-1257  [ doi:10.1107/S0108270100009768 ]

Three leflunomide metabolite analogs

S. Ghosh, J. D. Jennissen, Y. Zheng and F. M. Uckun

Formula: C12H8BrF3N2O3, C12H12N2O4S and C12H12N2O4S

Online October 2000


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Acta Cryst. (2000). C56, 1258-1259  [ doi:10.1107/S0108270100009835 ]

2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate

M.-R. Spirlet, J. F. Desreux, A. Riondel, G. Herbst and J. Goudiakas

Formula: C9H14N2O3

Online October 2000


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Acta Cryst. (2000). C56, 1260-1262  [ doi:10.1107/S0108270100009793 ]

5-Oxocyclooctanecarboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring [epsilon]-keto acid

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

Formula: C9H14O3

Online October 2000


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Acta Cryst. (2000). C56, 1263-1264  [ doi:10.1107/S010827010000980X ]

Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate

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

Formula: C16H17NO4

Online October 2000


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Acta Cryst. (2000). C56, 1265-1266  [ doi:10.1107/S0108270100009872 ]

Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition

C. Michaux, B. Norberg, J.-M. Dogné, F. Durant, B. Masereel, J. Delarge and J. Wouters

Formula: C23H27N5O2

Online October 2000


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Acta Cryst. (2000). C56, 1267-1268  [ doi:10.1107/S010827010001012X ]

Bis(3-nitrophenyl) disulfide forms no C-H...O hydrogen bonds

D. Cannon, C. Glidewell, J. N. Low and J. L. Wardell

Formula: C12H8N2O4S2

Online October 2000


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Acta Cryst. (2000). C56, 1269-1270  [ doi:10.1107/S0108270100010179 ]

(5S)-3-Oxo-4-oxa-endo-tricyclo[5.2.1.02,6]dec-8-en-5-yl acetate

D. D. Ellis and A. L. Spek

Formula: C11H12O4

Online October 2000


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Acta Cryst. (2000). C56, 1271-1273  [ doi:10.1107/S0108270100010234 ]

2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile

M. Pink, D. Britton, W. E. Noland and M. J. Pinnow

Formula: Two isomers of C7H2Cl3N

Online October 2000


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Acta Cryst. (2000). C56, 1274-1276  [ doi:10.1107/S0108270100010325 ]

DL-Arginine monohydrate at 100 K

R. Kingsford-Adaboh, M. Grosche, B. Dittrich and P. Luger

Formula: C6H14N4O2·H2O

Online October 2000


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Acta Cryst. (2000). C56, 1277-1279  [ doi:10.1107/S0108270100010337 ]

A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine

L. Scaccianoce, N. Feeder, S. J. Teat, E. A. Marseglia, A. C. Grimsdale and A. B. Holmes

Formula: Two polymorphs of C22H20N2O2

Online October 2000


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Acta Cryst. (2000). C56, 1280-1281  [ doi:10.1107/S0108270100010118 ]

2-Hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid

T. S. Basu Baul, S. Dhar and E. R. T. Tiekink

Formula: C14H12N2O4

Online October 2000


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Acta Cryst. (2000). C56, 1282-1283  [ doi:10.1107/S0108270100007496 ]

An inhibitor of Janus kinase 3: 4-(4-hydroxyphenylamino)-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate

E. A. Sudbeck, J. D. Jennissen, X.-P. Liu and F. M. Uckun

Formula: C16H16N3O3+·Cl-·CH4O

Online October 2000


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Acta Cryst. (2000). C56, 1284-1286  [ doi:10.1107/S0108270100009847 ]

Oxythiamine hexafluorophosphate monohydrate, a thiamine antagonist with the same conformation as thiamine

N.-H. Hu, Y. Kiyota and K. Aoki

Formula: C12H16N3O2S+·PF6-·H2O

Online October 2000


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Acta Cryst. (2000). C56, 1287-1288  [ doi:10.1107/S0108270100008039 ]

Hydrogen bonding and C-H...O interactions in 4-phenanthrenemethanol at 150 K

R. E. Gerkin

Formula: C15H12O

Online October 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e421  [ doi:10.1107/S0108270100011690 ]

Synthetic mansfieldite, AlAsO4·2H2O

W. T. A. Harrison

Synopsis: Synthetic mansfieldite is confirmed to be a variscite-type phase. cis-AlO4(H2O)2 octahedra and AsO4 tetrahedra form a dense vertex-sharing network. The O-H...O hydrogen-bonding network has been elucidated.

Formula: AlAsO4·2H2O

Online October 2000


 

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Acta Cryst. (2000). C56, e422  [ doi:10.1107/S0108270100011719 ]

Caesium vanadium selenite, Cs(VO2)3(SeO3)2

W. T. A. Harrison

Synopsis: Caesium vanadium(V) selenite contains vertex-sharing layers of distorted VO6 octahedra, capped by pyramidal selenite groups. Interlayer caesium cations complete the structure, which is isostructural with M(VO2)3(SeO3)2 (M = NH4+, K+) and Cs(VO2)3(TeO3)2.

Formula: Cs(VO2)3(SeO3)2

Online October 2000


 

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Acta Cryst. (2000). C56, e423-e424  [ doi:10.1107/S0108270100012154 ]

Tripotassium hexahydrogenhexamolybdocobaltate(III) potassium nitrate tetrahydrate, K3[H6CoMo6O24]·KNO3·4H2O

U. Lee and H. C. Joo

Synopsis: The title double salt was obtained from the reaction of Y(NO3)3 and K6[H4Co2Mo10O38]·5H2O at a pH of about 2.0. The [H6CoMo6O24]3- anion is a typical B-type Anderson-structure heteropolyanion.

Formula: K3[H6CoMo6O24]·KNO3·4H2O

Online October 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e425  [ doi:10.1107/S0108270100011653 ]

catena-Poly[[tetrakis[[mu]-(3-methoxyphenyl)acetato-O:O']dicopper(II)]-[mu]-2-aminopyrimidine-N1:N3]

D. E. Lynch and H. L. Duckhouse

Synopsis: The structure of the title compound comprises a zigzag polymer of alternating tetrakis([mu]-carboxylato-O:O')dicopper(II) and 2-aminopyrimidine units linked by axial Cu-N bonds, and the non-centrosymmetric structure has four unique (3-methoxyphenyl)acetate moieties.

Formula: [Cu2(C9H9O3)4(C4H5N3)]

Online October 2000


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Acta Cryst. (2000). C56, e426-e428  [ doi:10.1107/S0108270100011707 ]

Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole-metal complexes (M = Cu and Ni)

A. Gueddi, B. Mernari, M. Giorgi and M. Pierrot

Synopsis: In complexes of the ligand 3,5-bis(2-pyridinyl)-1,3,4-oxadiazole (pod), coordination is through one pyridine and one oxadiazole N atom, i.e. it behaves as a bidentate ligand. Octahedral coordination of the Cu or Ni metal atom in the title complexes, (I) and (II), respectively, is achieved by two pod ligands and two water molecules in axial positions.

Formula: [Cu(C12H8N4O)2(H2O)2](CF3SO3)2 and [Ni(C12H8N4O)2(H2O)2](ClO4)2

Online October 2000


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Acta Cryst. (2000). C56, e429  [ doi:10.1107/S0108270100011896 ]

(n-Butyldiphenylphosphine)dichloro([eta]6-p-cymeme)ruthenium(II)

G. Bruno, M. Panzalorto, F. Nicoló, C. G. Arena and P. Cardiano

Synopsis: The title ruthenium complex contains a monodentate (C4H9)PPh2 ligand coordinated by the P atom. Coordination about the metal centre is completed by a [eta]6-p-cymene ligand and two Cl atoms.

Formula: [RuCl2(C10H14)(C16H19P)]

Online October 2000


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Acta Cryst. (2000). C56, e430-e431  [ doi:10.1107/S0108270100011902 ]

catena-Poly[[[bis(N,N'-diphenylthiourea)cadmium(II)]-di-[mu]-thiocyanato] dihydrate]

H.-G. Zhu, G. Yang, X.-M. Chen and S. W. Ng

Synopsis: Bridging by the two thiocyanate groups in centrosymmetric six-coordinate bis(diphenylthiourea)bis(thiocyanato)cadmium(II) dihydrate leads to the formation of eight-membered [Cd-SCN[rightwards arrow]Cd-SCN[rightwards arrow]] rings that are linked at the metal atom to furnish chains running parallel to the a axis.

Formula: [Cd(NCS)2(C13H12N2S)2]·2H2O

Online October 2000


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Acta Cryst. (2000). C56, e432-e433  [ doi:10.1107/S0108270100012014 ]

Sodium hydrogen nitrilotriacetate dihydrate

J.-G. Kang, J.-P. Hong and S. K. Kang

Synopsis: In the title compound, the sodium ion is coordinated in a distorted octahedral manner by two carboxylate O atoms and two water O atoms. Each of these water molecules bridges two adjacent Na ions, resulting in two four-membered rings of the type Na-O-Na-O.

Formula: Na+·C6H8NO6-·2H2O

Online October 2000


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Acta Cryst. (2000). C56, e434  [ doi:10.1107/S0108270100012075 ]

Three different functions of a phosphinic amidato ligand in LNi(LLi)(LH) {L = [tBu2P(O)NEt]-}

W. Kuchen and H. Wunderlich

Synopsis: A pseudo-tetrahedral Ni complex has been formed as a result of incomplete bis-chelation of Ni2+ by L-. The dihedral angle at nickel is 68.8 (1)°. A trigonal-planar LiO3 coordination is formed, with Li-O distances of 1.801 (6), 1.825 (6) and 1.842 (6) Å.

Formula: [NiLiCl(C10H23NOP)2(C10H24NOP)]

Online October 2000


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Acta Cryst. (2000). C56, e435-e436  [ doi:10.1107/S0108270100012087 ]

Lanthanide complexes of 2,2'-oxydiacetate: Na5[M(C4H4O5)3](BF4)2·6H2O (M = Nd, Sm or Gd)

L. J. Farrugia, R. D. Peacock and B. Stewart

Synopsis: The three title complexes, (I)-(III), are isomorphous and isostructural and have crystallographic D3 symmetry. The lanthanide metal ions are coordinated by nine O atoms in a skewed tricapped trigonal prismatic geometry.

Formula: Na5[M(C4H4O5)3](BF4)2·6H2O (M = Nd, Sm or Gd)

Online October 2000


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Acta Cryst. (2000). C56, e437  [ doi:10.1107/S0108270100012105 ]

Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II)

R. D. Willett, S. F. Haddad and B. Twamley

Synopsis: Reaction of CuBr2 with 2,6-diaminopyridine in HBr solution leads to 3,5-dibromination of the pyridininium ring. The resultant cation was isolated as the [CuBr4]2- salt. The diaminodibromopyridinium ions are planar, while the CuII ions have a distorted compressed tetrahedral coordination with C2 symmetry.

Formula: (C5H6Br2N3)2[CuBr4]

Online October 2000


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Acta Cryst. (2000). C56, e438  [ doi:10.1107/S0108270100012129 ]

Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV)

R. D. Willett and S. F. Haddad

Synopsis: The structure consists of C7H11N2+ cations and centrosymmetric [SnCl6]2- octahedra. The octahedral [SnCl6]2- anion is hydrogen bonded via trans-Cl atoms to pyridinium N atoms from two cations forming (C7H11N2)2[SnCl6] structural units.

Formula: (C7H11N2)2[SnCl6]

Online October 2000


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Acta Cryst. (2000). C56, e439-e440  [ doi:10.1107/S0108270100012191 ]

mer-Trichlorotris(1,3-thiazole-N)ruthenium(III)

C. Pifferi and R. Cini

Synopsis: The first RuIII-thz (thz is 1,3-thiazole) complex characterized via X-ray diffraction, mer-[RuCl3(C3H3NS)3], is a potentially cytostatic compound and consists of discrete complex molecules with an octahedral coordination sphere in which the metal centre is linked to three chloride ions and to three thz ligands through the N atoms. The compound was prepared from the reaction of K3RuCl6 and excess thiazole in MeOH. The Ru-Cl and Ru-N bond distances average 2.3462 (6) and 2.0851 (19) Å, respectively.

Formula: [RuCl3(C3H3NS)3]

Online October 2000


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Acta Cryst. (2000). C56, e441-e442  [ doi:10.1107/S0108270100012221 ]

A new inorganic-organic hybrid: tetraimidazolium octamolybdate(VI) containing the [beta]-form of the [Mo8O26]4- anion

P. Gili, P. Núñez, P. Martín-Zarza and P. A. Lorenzo-Luis

Synopsis: The structure of the title compound consists of [beta]-[Mo8O26]4- polyanions and imidazolium cations. A [gamma][rightwards arrow][beta] conversion is produced in the presence of Cu(NO3)2·3H2O.

Formula: (C3H5N2)4[Mo8O26]

Online October 2000


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Acta Cryst. (2000). C56, e443-e444  [ doi:10.1107/S0108270100012233 ]

The polyoxometallate [(CH3)4N]2[Mo4O10(OCH3)4Cl2]

N. Strukan, M. Cindric, T. Kajfez, B. Kamenar and G. Giester

Synopsis: The centrosymmetric [Mo4O10(OCH3)4Cl2]2- anion is built up of four edge-sharing octahedra, two MoO6 and two MoO5Cl.

Formula: (C4H12N)2[Mo4O10(OCH3)4Cl2]

Online October 2000


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Acta Cryst. (2000). C56, e445-e446  [ doi:10.1107/S0108270100012245 ]

Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide

Y.-Z. Li, M. Wang, L.-F. Wang and C.-G. Xia

Synopsis: In the title complex, the Mn atom is coordinated by three N atoms and three O atoms from three pyridinecarboxylate ligands in a distorted octahedral geometry. One ligand is protonated and is hydrogen bonded to the hydroxide anion.

Formula: [Mn(C6H4NO2)2(C6H5NO2)]OH

Online October 2000


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Acta Cryst. (2000). C56, e447  [ doi:10.1107/S0108270100012488 ]

A zigzag-type one-dimensional coordination polymer formed by (2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II) and copper nitrate

R. Song, K. M. Kim and Y. S. Sohn

Synopsis: The title compound is a one-dimensional heterometallic coordination polymer of the zigzag-type with the molecular composition [(dmpda)Pt(isonic)2Cu(H2O)3](NO3)2, where dmpda is 2,2-dimethyl-1,3-propanediamine and isonic is isonicotinate. One Cu atom links two platinum complex molecules through coordination to two carboxylate groups from the two platinum complex units, and the polymer has repeat zigzag units in which the Cu-Pt-Cu angle is 64.9°.

Formula: [CuPt(C6H4NO2)2(C5H14N2)(H2O)3](NO3)2

Online October 2000


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Acta Cryst. (2000). C56, e448-e449  [ doi:10.1107/S010827010001249X ]

Low-temperature tris(tert-butyl 3-oxobutanoato)iron(III)

U. K. Urs, K. Shalini, S. A. Shivashankar and T. N. Guru Row

Synopsis: The Fe atom in the low-temperature (173 K) structure of the title metal-organic chemical vapour deposition (MOCVD) precursor is octahedrally coordinated and the three chelate rings are found to be significantly non-planar, adopting a half-chair conformation with the Fe atom out of the plane. The structure exhibits only intramolecular C-H...O interactions.

Formula: [Fe(C8H13O3)3]

Online October 2000


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Acta Cryst. (2000). C56, e450-e451  [ doi:10.1107/S0108270100011963 ]

Chlorodimethyl(N-methylpyrrolidinone)tin(IV)-[mu]-chloro-dichlorodimethyltin(IV)

U.-C. König, M. Berkei, C. Hirsch, H. Preut and T. N. Mitchell

Synopsis: The title compound is found to exhibit a distorted trigonal-bipyramidal geometry at both SnIV atoms. The Sn-Cl-Sn angle involving the bridging chlorine ligand is 135.56 (5)°. The values of the Sn-Cl bond lengths in the bridge are 2.5704 (13) and 3.1159 (13) Å.

Formula: [Sn2Cl4(CH3)4(C5H9NO)]

Online October 2000


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Acta Cryst. (2000). C56, e452-e453  [ doi:10.1107/S010827010001221X ]

cis-Dibromo-trans-dimethyl-cis-bis(N,N-dimethylacetamide)tin(IV)

U.-C. König, M. Berkei, C. Hirsch, H. Preut and T. N. Mitchell

Synopsis: The crystal structure of the title compound shows a distorted octahedral geometry for the Sn atom. As in 1:2 complexes of dimethyltin dihalides with N-methylpyrrolidinone (NMP), the coordination of the amide ligand to SnIV is realised via oxygen.

Formula: [SnBr2(CH3)2(C4H9NO)2]

Online October 2000


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Acta Cryst. (2000). C56, e454  [ doi:10.1107/S0108270100012476 ]

Dichlorobis(1,2-phenylenediamine)nickel(II)

K. R. Maxcy, R. Smith, R. D. Willett and A. Vij

Synopsis: The NiII ion attains a trans-octahedral coordination with two bidentate phenylenediamine ligands and two chloride ions in the coordination sphere.

Formula: [NiCl2(C6H8N2)2]

Online October 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e455-e456  [ doi:10.1107/S0108270100011665 ]

Diethyl trans-2,3-dibenzoyl-2-butenedioate

Y.-Z. Li, R.-B. Dai, A.-X. Wu, M. Wang, Q.-X. Li, G.-C. Sun, L.-F. Wang and C.-G. Xia

Synopsis: The title compound has a central double-bond length of 1.3694 (12) Å. The two benzene rings, lying on different sides of the 2-butenedioate main chain, are almost parallel to each other and nearly perpendicular to the main chain.

Formula: C22H20O6

Online October 2000


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Acta Cryst. (2000). C56, e457-e458  [ doi:10.1107/S0108270100011677 ]

Éthyl 5-méthylthio-3-(4-nitrophényl)-3a-phényl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-a][1,5]benzodiazépine-1-carboxylate

S. El Hazazi, A. Baouid, A. Hasnaoui and M. Pierrot

Synopsis: The title compound is composed of a benzodiazepine fragment with a five-membered triazole ring fused on a seven-membered ring. The triazole ring, which has a nitrophenyl substituent, is planar and slightly twisted with respect to the nitrophenyl ring.

Formula: C26H23N5O4S

Online October 2000


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Acta Cryst. (2000). C56, e459-e460  [ doi:10.1107/S0108270100011689 ]

1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazépin-5-one

A. Aatif, A. Baouid, A. Hasnaoui and M. Pierrot

Synopsis: The title compound is composed of a benzodiazepinone fragment with two five-membered rings (oxadiazole and cyclopentane) fused to the seven-membered diazepine ring. The oxadiazole ring, which bears a mesityl group, has a bipyramidal conformation, while the cyclopentane ring has an envelope conformation.

Formula: C23H25N3O2

Online October 2000


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Acta Cryst. (2000). C56, e461-e462  [ doi:10.1107/S0108270100012130 ]

Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-d][1,4]benzodiazépine-2,3-carboxylate

R. Benelbaghdadi, A. Benharref, A. Hasnaoui, J. P. Lavergne, M. Pierrot and F. Huet

Synopsis: The title compound was obtained by condensation between benzodiazepine and diethyl 2,3-epoxy-1,4-butanedioate. An oxazoline ring is fused on the benzodiazepine system and has an envelope conformation.

Formula: C24H25ClN2O6

Online October 2000


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Acta Cryst. (2000). C56, e463-e464  [ doi:10.1107/S0108270100012142 ]

3-(Ethoxycarbonyldihydroxymethyl)-2-oxo-1,2-dihydroquinoxaline

S. Ferfra, N. Ahabchane, E. M. Essassi and M. Pierrot

Synopsis: The product of the reaction of 3-ethoxycarbonylmethyl-2-oxo-1,2-dihydroquinoxaline with bromide was dissolved in dimethylformamide for further reaction with sodium azide in water at low temperature. The unexpected compound obtained has been structurally characterized. There is a short intramolecular contact between the N1 atom and a hydroxyl group [2.772 (4) Å]. Two intermolecular hydrogen bonds participate in the molecular packing.

Formula: C12H12N2O5

Online October 2000


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Acta Cryst. (2000). C56, e465-e466  [ doi:10.1107/S0108270100011720 ]

2,4,5-Triphenyl-4H-imidazol-4-yl hydroperoxide-dichloromethane (2/1)

Z. Z. Hu, S. Takami, M. Kimura, Y. Tachi and Y. Naruta

Synopsis: The structure of lophine peroxide was confirmed to be 2,4,5-triphenyl-4H-imidazol-4-yl hydroperoxide and not the 2,5-endoperoxide. The asymmetric unit is composed of an O-H...N hydrogen-bonded dimer of lophine peroxide and a CH2Cl2 solvent molecule.

Formula: 2C21H16N2O2·CH2Cl2

Online October 2000


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Acta Cryst. (2000). C56, e467-e468  [ doi:10.1107/S0108270100011914 ]

(-)-(S)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride

A. S. Batsanov and J. A. K. Howard

Synopsis: The structure of the title compound (a potential auxiliary in asymmetric alkylation) comprises cations and anions, linked by Cl...H-N-H...Cl hydrogen bonds (in which the F atom does not participate) into an infinite chain. The absolute configuration (S) was confirmed. The five-membered heterocycle adopts an envelope conformation, with the fluorodiphenylmethyl substituent in an equatorial orientation.

Formula: C17H19FN+·Cl-

Online October 2000


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Acta Cryst. (2000). C56, e469-e471  [ doi:10.1107/S0108270100011926 ]

Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate

T. J. Emge, A. Agrawal, J. P. Dalessio, G. Dukovic, J. A. Inghrim, K. Janjua, M. Macaluso, L. L. Robertson, T. J. Stiglic, Y. Volovik and M. M. Georgiadis

Synopsis: Hydrogen bonding in the three title compounds, (I), (II) and (III), respectively, occurs between primary and quaternary amino, carboxylic acid and carbonyl groups of the dipeptides and the water solvate molecules. The tryptophan ring portions pack in a herring-bone sheet fashion, with no significant hydrogen-bonding interactions.

Formula: C13H15N3O3·H2O, C13H15N3O3·2H2O and C14H17N3O3·H2O

Online October 2000


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Acta Cryst. (2000). C56, e472-e473  [ doi:10.1107/S010827010001194X ]

10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4',3':2,3]-1,2,4-triazino[5,6-b]indole

M. A. E. Shaban, A. Morgaan, H. Chun and I. Bernal

Synopsis: The title compound shows that the oxidative cyclization of 5-ethyl-3-(4-methoxybenzylidene)hydrazino-1,2,4-triazino[5,6-b]indole with ethanolic iron(II) chloride leads to the formation of linearly annelated species. The skeleton is approximately planar, except for the ethyl group.

Formula: C19H16N6O

Online October 2000


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Acta Cryst. (2000). C56, e474-e475  [ doi:10.1107/S0108270100011975 ]

7-Nitroindazole

F. Ooms, B. Norberg, E. M. Isin, N. Castagnoli, C. J. Van der Schyf and J. Wouters

Synopsis: The title compound is an inhibitor of neuronal nitric oxide synthase and is also a reversible monoamine oxidase B inhibitor. The planar benzenoid N1H tautomer crystallizes as a dimer assisted by intramolecular N-H...N hydrogen bonding.

Formula: C7H5N3O2

Online October 2000


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Acta Cryst. (2000). C56, e476  [ doi:10.1107/S0108270100012026 ]

3-tert-Butyl-1-(2-pyridylmethyl)-3H-imidazolium bromide hydrate

S. Kleinhenz, A. A. D. Tulloch and A. A. Danopoulos

Synopsis: The structure of the title compound shows that the cation and the bromide anion are linked via the water molecule through weak intermolecular hydrogen bonds.

Formula: C13H18N3+·Br-·H2O

Online October 2000


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Acta Cryst. (2000). C56, e477-e478  [ doi:10.1107/S0108270100012099 ]

1,2,7,8-Tetra-O-acetylaustraline

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

Synopsis: The title compound, obtained as a minor component following acetylation and chromatographic fractionation of the mother liquor remaining after crystallizing castanospermine from extracts of Castanospermine australe seeds, is similar to previously determined australines, but with no intermolecular hydrogen bonding in the crystal.

Formula: C16H23NO8

Online October 2000


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Acta Cryst. (2000). C56, e479-e480  [ doi:10.1107/S0108270100012117 ]

2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)

K. SethuSankar, S. Banumathi, R. Krishna and D. Velmurugan

Synopsis: The two cyclohexene rings adopt sofa conformations and are attracted towards each other by O-H...O intramolecular hydrogen bonds. C-H...O interactions connect adjacent molecules.

Formula: C13H16O4

Online October 2000


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Acta Cryst. (2000). C56, e481-e482  [ doi:10.1107/S0108270100012166 ]

(E)-N-Benzylidene-3-chloro-4-fluoroaniline

K. V. Arjuna Gowda, M. K. Kokila, Puttaraja, M. V. Kulkarni and N. C. Shivaprakash

Synopsis: The title molecule is substantially planar. The phenyl and 3-chloro-4-fluorophenyl rings are on opposite sides of the C=N bond. There is an intermolecular C-H...F short contact and the molecules are held together in layers parallel to the bc plane.

Formula: C13H9ClFN

Online October 2000


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Acta Cryst. (2000). C56, e483  [ doi:10.1107/S0108270100012257 ]

Methyl 2-hydroxy-2-[5'-hydroxy-5'-(1-hydroxy-1-methylethyl)-5,2'-dimethylperhydro-2,2'-bifuranyl-5-yl]acetate

M. E. Light and M. B. Hursthouse

Synopsis: The relative configuration was determined for the title compound, which was obtained as a mixture of epimers. There are both intra- and intermolecular hydrogen bonds, the latter forming dimers around the crystallographic centres of inversion.

Formula: C16H28O7

Online October 2000


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Acta Cryst. (2000). C56, e484  [ doi:10.1107/S0108270100012506 ]

Absolute configuration of a C2-symmetric bis(thiophenol)

R. B. Bates, M. D. Carducci, A. Diez, P. Forns, V. V. Kane and M. Rubiralta

Synopsis: Analysis of the title bis-(-)-menthylcarbonate derivative of trans-1,2-cyclopentanediylbis(2-benzenethiol), (II), determines the (-)-enantiomer of (II) to be S,S and the (+)-enantiomer to be R,R.

Formula: C39H54O4S2

Online October 2000


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Acta Cryst. (2000). C56, e485-e486  [ doi:10.1107/S0108270100011938 ]

2-Phenylmalonamide

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

Synopsis: In the title compound, the amide groups are rotated out of the C(ONH2)-C(HPh)-C(ONH2) plane by ca 25-47° and the phenyl ring is almost perpendicular to this plane. Intermolecular N-H...O hydrogen bonds form a three-dimensional network.

Formula: C9H10N2O2

Online October 2000


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