Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 5 (May 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: A simplified packing diagram showing the anionic network of tris(2,2'-bipyridyl)nickel(II) thiosulfate heptahydrate, with H atoms omitted. See Freire et al. [Acta Cryst. C56, 541-543].

inorganic compounds


 

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Acta Cryst. (2000). C56, 511-512  [ doi:10.1107/S0108270199015279 ]

Na2Co(H2PO4)4·4H2O

A. Guesmi, M. F. Zid and A. Driss

Synopsis: The framework of Na2Co(H2PO4)4·4H2O is built up from cobalt complex ions of the form [Co(H2PO4)4(OH2)2]2- connected via hydrogen bonds.

Formula: Na2Co(H2PO4)4·4H2O

Online May 2000


 

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Acta Cryst. (2000). C56, 513-514  [ doi:10.1107/S0108270100000792 ]

KNi3(AsO4)(As2O7)

R. Ben Smail and T. Jouini

Synopsis: KNi3(AsO4)(As2O7) has a three-dimensional open anionic framework comprised of NiO6 octahedra, AsO4 tetrahedra and As2O7 groups sharing corners and edges. These delimit parallel tunnels running aong the b direction in which the K+ ions are located.

Formula: KNi3(AsO4)(As2O7)

Online May 2000


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Acta Cryst. (2000). C56, 515-517  [ doi:10.1107/S010827010000127X ]

Tetraammine(selenito-O,O')cobaltate(III) nitrate monohydrate

A. A. A. Emara, J. A. Krause Bauer and A. Galal

Synopsis: A three-dimensional hydrogen-bonded network exists between [Co(SeO3)(NH3)4]NO3 and the water molecule. The nitrate anion and water molecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO3)(NH3)4]+ cations.

Formula: [Co(SeO3)(NH3)4]NO3·H2O

Online May 2000


 

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Acta Cryst. (2000). C56, 518-520  [ doi:10.1107/S010827010000130X ]

Alkaline positions in CsTiOAsO4

J. Nordborg née Almgren

Synopsis: A re-investigation of the caesium titanyl arsenate room-temperature structure using a single-domain crystal shows that there is a substantial disorder of the Cs atoms over additional sites.

Formula: CsTiOAsO4

Online May 2000


 

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Acta Cryst. (2000). C56, 521-522  [ doi:10.1107/S0108270100002560 ]

Rerefinement of K2[TiF6]

O. Göbel

Synopsis: The crystal structure of the title compound is built up from face-sharing TiF6 antiprisms and KF12 polyhedra. The compound seems to be optically isotropic at approximately 720 nm.

Formula: K2[TiF6]

Online May 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 523-524  [ doi:10.1107/S0108270100000342 ]

A binuclear manganese(II) complex, decaaqua([mu]-1,2,4,5-benzenetetracarboxylato-O1:O4)dimanganese(II) hydrate

D. Cheng, Y. Zheng, J. Lin, D. Xu and Y. Xu

Formula: [Mn2(C10H2O8)(H2O)10]·H2O

Online May 2000


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Acta Cryst. (2000). C56, 525-527  [ doi:10.1107/S0108270100001013 ]

The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe3)-2,3-C2B4H4]2

N. S. Hosmane and C. Zheng

Formula: [Ti(C5H5)(C6H16B4Si)]2

Online May 2000


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Acta Cryst. (2000). C56, 528-531  [ doi:10.1107/S0108270100001025 ]

Three complexes of bis(N-methylbenzohydroxamato-O,O')copper(II)

R. G. Baughman, D. J. Brink, J. M. Butler and P. R. New

Formula: Three complexes of [Cu(C8H8NO2)2]

Online May 2000


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Acta Cryst. (2000). C56, 532-533  [ doi:10.1107/S010827010000113X ]

trans-(4-Amino-2,2,6,6-tetramethylpiperidine-N4)bis(pentane-2,4-dionato-O,O')(triphenylphosphine-P)cobalt(III) hexafluorophosphate dichloromethane solvate

T. Suzuki, M. Ogita and S. Kaizaki

Formula: [Co(C5H7O2)2(C9H20N2)(C18H15P)]PF6·CH2Cl2

Online May 2000


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Acta Cryst. (2000). C56, 534-535  [ doi:10.1107/S0108270100001128 ]

Sodium dihydrogen tris(cyclopropanecarboxylate)

K. W. Muir, A. Macdonald, A. Murray and A. Macdonald

Online May 2000


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Acta Cryst. (2000). C56, 536-537  [ doi:10.1107/S0108270100001207 ]

1,2:1,3-Bis([mu]-p-toluato-O:O')-1-(triphenylphosphine-P)-1-ruthena-closo-undecaborane

Y. Nie, C.-H. Hu, Q.-J. Wu, S.-F. Lu, R.-S. Jin and P.-J. Zheng

Formula: [Ru(C16H22B10O4)(C18H15P)]

Online May 2000


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Acta Cryst. (2000). C56, 538-540  [ doi:10.1107/S0108270100001281 ]

(Z)-Bis{[mu]-[1-(2-naphthylmethyloxy)propan-2-iminato-O,N:N]}bis[bromobis(tetrahydrofuran-O)magnesium] ditoluene solvate

A. B. Charette, A. Gagnon and F. Bélanger-Gariépy

Formula: [Mg2Br2(C14H14NO)2(C4H8O)4]·2C7H8

Online May 2000


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Acta Cryst. (2000). C56, 541-543  [ doi:10.1107/S0108270100001414 ]

Tris(2,2'-bipyridyl-N,N')nickel(II) thiosulfate heptahydrate

E. Freire, S. Baggio, A. Mombru and R. Baggio

Formula: [Ni(C10H8N2)3](S2O3)·7H2O

Online May 2000


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Acta Cryst. (2000). C56, 544-545  [ doi:10.1107/S0108270100001578 ]

Calcium(II) meso-2,3-diphenylsuccinate heptahydrate

G. Morin, M. Shang and B. D. Smith

Formula: [Ca(C16H12O4)(H2O)6]·H2O

Online May 2000


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Acta Cryst. (2000). C56, 546-548  [ doi:10.1107/S010827010000158X ]

A binuclear rhodium(I) complex with two tetraphosphine ligands at 100 K

C. Hunt, B. D. Nelson, E. G. Harmon, F. R. Fronczek, S. F. Watkins, D. R. Billodeaux and G. G. Stanley

Formula: [Rh2(C25H40P4)2](BF4)2

Online May 2000


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Acta Cryst. (2000). C56, 549-550  [ doi:10.1107/S0108270100001657 ]

Bis(4-hydroxy-3-methoxybenzaldehyde thiosemicarbazonato-N1,S)nickel(II) tetraethanol solvate

N. T. Akinchan and U. Abram

Formula: [Ni(C9H10N3O2S)2]·4C2H6O

Online May 2000


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Acta Cryst. (2000). C56, 551-553  [ doi:10.1107/S0108270100001670 ]

Bimetallic assemblies, [Ni(en)2]3[M(CN)6]2·3H2O (en = H2NCH2CH2NH2; M = Fe, Co)

J. Eriksen, A. Hazell, A. Jensen, J. Jepsen and R. D. Poulsen

Online May 2000


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Acta Cryst. (2000). C56, 554-555  [ doi:10.1107/S0108270100001633 ]

Chlorobis[4,4-bis(hydroxymethyl)-2-(2-pyridyl)-4,5-dihydrooxazole-N,N']copper(II) chloride hemihydrate

M. Koman, P. Segla, M. Jamnický and T. Glowiak

Formula: [CuCl(C10H12N2O3)2]Cl·0.5H2O

Online May 2000


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Acta Cryst. (2000). C56, 556-557  [ doi:10.1107/S0108270100001876 ]

Anhydrous polymeric zinc(II) octanoate

F. Lacouture, J. Peultier, M. François and J. Steinmetz

Formula: [Zn(C8H15O2)2]

Online May 2000


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Acta Cryst. (2000). C56, 558-559  [ doi:10.1107/S0108270100002158 ]

[[eta]5,[sigma]-3,3-Dimethyl-1-(2,3,4,5-tetramethylcyclopentadienyl)but-1-en-2-amino]([eta]5-pentamethylcyclopentadienyl)titanium

D. D. Ellis and A. L. Spek

Formula: [Ti(C10H15)(C15H23N)]

Online May 2000


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Acta Cryst. (2000). C56, 560-561  [ doi:10.1107/S010827010000247X ]

Dichloro(tetrahydrofuran-O)[(trimethylsilyl)amido-N]gallium(III)

N. L. Pickett, O. Just, D. G. VanDerveer and W. S. Rees

Formula: [GaCl2(C3H10NSi)(C4H8O)]

Online May 2000


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Acta Cryst. (2000). C56, 562-563  [ doi:10.1107/S0108270100002559 ]

A 1:1 cocrystal of di-[mu]-chloro-bis{[N-(1-hydroxybut-2-yl)salicylideneiminato-N,O,O']copper(II)} monohydrate and its methanol solvate

W. Maniukiewicz and M. Bukowska-Strzyzewska

Formula: [Cu2Cl2(C11H14N2O4)2]2·CH4O·H2O

Online May 2000


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Acta Cryst. (2000). C56, 564-565  [ doi:10.1107/S0108270100000172 ]

[Ferrocene-1,1'-diylbis(diisopropylphosphine-P)]bis(phenylthio)palladium(II)

I. A. Guzei, L. L. Maisela and J. Darkwa

Formula: [Pd(C6H5S)2(C22H36FeP2)]

Online May 2000


organic compounds


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Acta Cryst. (2000). C56, 566-567  [ doi:10.1107/S0108270199016108 ]

[1a(1a[alpha],5[beta],9a[alpha])]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one

N. T. Do Valle, C. A. De Simone, M. A. Pereira and M. O. F. Goulart

Formula: C20H24O2

Online May 2000


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Acta Cryst. (2000). C56, 568-569  [ doi:10.1107/S0108270199016170 ]

N-Méthyl succinimide

J. A. Tenon, M. Carles and J. P. Aycard

Formula: C5H7NO2

Online May 2000


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Acta Cryst. (2000). C56, 570-571  [ doi:10.1107/S0108270100001049 ]

13H-Dibenzo[a,i]fluoren-13-one

D. G. Morris, S. Higgins, K. S. Ryder, R. A. Howie and K. W. Muir

Formula: C21H12O

Online May 2000


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Acta Cryst. (2000). C56, 572-573  [ doi:10.1107/S0108270100001396 ]

Tris(2-cyanoethyl) isocyanurate

P. K. Thallapally and G. R. Desiraju

Formula: C12H12N6O3

Online May 2000


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Acta Cryst. (2000). C56, 574-576  [ doi:10.1107/S0108270100001402 ]

2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[b]thiophene

M. Parvez, S. T. Mesher and P. D. Clark

Formula: C8H8O2S2 and C10H10O2S2

Online May 2000


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Acta Cryst. (2000). C56, 577-579  [ doi:10.1107/S0108270100001475 ]

Strong intramolecular O-H...O hydrogen bonds in quinaldic acid N-oxide and picolinic acid N-oxide

T. Steiner, A. M. M. Schreurs, M. Lutz and J. Kroon

Formula: C6H5NO3 and C10H7NO3

Online May 2000


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Acta Cryst. (2000). C56, 580-581  [ doi:10.1107/S0108270100001451 ]

2',3'-Didehydro-3'-deoxythymidine N-methyl-2-pyrrolidone solvate (D4T·NMPO)

D. Viterbo, M. Milanesio, R. Pomés Hernández, C. Rodríguez Tanty, I. Colás González, M. Sablón Carrazana and J. Duque Rodríguez

Formula: C10H12N2O4·C5H9NO

Online May 2000


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Acta Cryst. (2000). C56, 582-583  [ doi:10.1107/S0108270100001591 ]

1,3(R):4,6(R)-Di-O-benzylidene-D-mannitol

Y. Xiao, R. J. Voll, D. R. Billodeaux, F. R. Fronczek and E. S. Younathan

Formula: C20H22O6

Online May 2000


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Acta Cryst. (2000). C56, 584-586  [ doi:10.1107/S0108270100001608 ]

Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide

V. Béreau and J. A. Ibers

Formula: C8H20O4P2Se5 and C12H28O4P2Se4

Online May 2000


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Acta Cryst. (2000). C56, 587-591  [ doi:10.1107/S0108270100001645 ]

Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton

E. Buñuel, C. Cativiela, M. D. Díaz-de-Villegas and J. A. Gálvez

Formula: Two diastereoisomers of C18H23NO5

Online May 2000


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Acta Cryst. (2000). C56, 592-593  [ doi:10.1107/S0108270100001815 ]

3-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

S. C. Jain, A. Bharadvaja, R. Kumar, D. Agarwal and W. Errington

Formula: C25H21N3O2S

Online May 2000


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Acta Cryst. (2000). C56, 594-595  [ doi:10.1107/S0108270100001827 ]

Gallic acid monohydrate

R.-W. Jiang, D.-S. Ming, P. P. H. But and T. C. W. Mak

Formula: C7H6O5·H2O

Online May 2000


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Acta Cryst. (2000). C56, 596-597  [ doi:10.1107/S010827010000250X ]

1,3:16,18-Bis(xylyl)-30-crown-8

D. D. Ellis and A. L. Spek

Formula: C28H40O8

Online May 2000


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Acta Cryst. (2000). C56, 598-599  [ doi:10.1107/S0108270100002766 ]

2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrazine-3,6-dione, a bicyclic product of [alpha]-aminoisobutyric acid condensation

V. A. Basiuk, L. V. Van Meervelt, V. A. Soloshonok and E. V. Basiuk

Formula: C12H19N3O2

Online May 2000


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Acta Cryst. (2000). C56, 600-601  [ doi:10.1107/S0108270100002742 ]

Polyhedral azaborane chemistry, 6-(C5H5N)-arachno-4-NB8H11

C. Price, U. Dörfler, J. D. Kennedy and M. Thornton-Pett

Formula: C5H16B8N2

Online May 2000


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Acta Cryst. (2000). C56, 602-603  [ doi:10.1107/S0108270100002754 ]

2,4,4-Trimethyl-2-phenyl-3-pentanone oxime

R. L. Luck and G. D. Mendenhall

Formula: C14H21NO

Online May 2000


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Acta Cryst. (2000). C56, 604-606  [ doi:10.1107/S0108270100002882 ]

5-Nitro-N-phenyl-2-thiofuramide

G. Pavlovic, A. D. Mance and K. Jakopcic

Formula: C11H8N2O3S

Online May 2000


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Acta Cryst. (2000). C56, 607-609  [ doi:10.1107/S0108270100001888 ]

cis-Bis(2,2'-bipyridyl-N,N')dichlorosilicon diiodide

K. Hensen, R. Mayr-Stein, S. Rühl and M. Bolte

Formula: C20H16Cl2N4Si2+·2I-

Online May 2000


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Acta Cryst. (2000). C56, 610-613  [ doi:10.1107/S010827010000278X ]

Complexes of mixed silicon halides with 4-picoline

K. Hensen, R. Mayr-Stein, B. Spangenberg and M. Bolte

Formula: Five C12H14Br4-xClxN2Si complexes

Online May 2000


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Acta Cryst. (2000). C56, 614-615  [ doi:10.1107/S0108270100002791 ]

trans-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate

K. Hensen, R. Mayr-Stein, S. Rühl and M. Bolte

Formula: C24H28Cl2N4Si2+·2I3-·CHCl3

Online May 2000


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Acta Cryst. (2000). C56, 616-618  [ doi:10.1107/S0108270100003292 ]

Asperuloside monohydrate

A. Linden, I. Çalis, M. Neuburger and O. Sticher

Formula: C18H22O11·H2O

Online May 2000


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Acta Cryst. (2000). C56, 619-622  [ doi:10.1107/S0108270100003553 ]

O-H...O, C-H...O and C-H...[pi]arene intermolecular interactions in (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid and (2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid

J. F. Gallagher and F. Brady

Formula: Two isomers of C13H15NO3

Online May 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e170-e171  [ doi:10.1107/S0108270100005229 ]

Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate, Na2Cr[IMo6O24]·24H2O

C. Rosu and T. J. R. Weakley

Synopsis: In the title compound, the anion has the I atom on an inversion centre and exhibits non-crystallographic symmetry close to \overline 3m. The cations are bonded exclusively to water ligands, in contrast to the situation in the disodium cobalt(II) salt [Rosu & Dickman (1999). Acta Cryst. C55, 11-13].

Formula: Na2Cr[IMo6O24]·24H2O

Online May 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e172-e173  [ doi:10.1107/S0108270100004455 ]

[mu]-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)}

W.-T. Huang, J.-M. Lo, H.-H. Yao and F.-L. Liao

Synopsis: The title compound contains a linear [Re2O3]4+ core and hexacoordinate ReV atoms. There is an inversion centre at the central bridging O atom. There is an inversion centre at the central bridging O atom. The distorted octahedral coordination of the ReV atom consists of an N2O2 donor set from the tetradentate imine-phenol ligand.

Formula: [Re2O3(C19H20N2O2)2]

Online May 2000


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Acta Cryst. (2000). C56, e174-e175  [ doi:10.1107/S0108270100004479 ]

An N-unprotected Fischer pyrrolidinylidene complex

M. Nieger, W.-C. Haase and K. H. Dötz

Synopsis: The crystal structure of pentacarbonyl(pyrrolidin-2-ylidene)chromium(0) shows strong interaction between the lone pair at nitrogen and the carbene C atom, and a weak intermolecular hydrogen bond between N-H and a carbonyl ligand.

Formula: [Cr(C4H7N)(CO)5]

Online May 2000


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Acta Cryst. (2000). C56, e176-e177  [ doi:10.1107/S010827010000473X ]

catena-Poly[fac-trichloromethyltin(IV)-[mu]-[meso-1,2-bis(phenylsulfinyl)ethane-O:O']]

M. T. do P. Gambardella, R. H. P. Francisco, A. M. G. D. Rodrigues and G. F. de Sousa

Synopsis: In the title compound, [SnCl3(CH3)(C6H5SOCH2)2]n, determined as part of structural studies on adducts of halide-organotin compounds with sulfoxide derivatives, the octahedral SnIV centres are bridged by meso-1,2-bis(phenylsulfinyl)ethane ligands forming infinite chains along the [100] direction.

Formula: [SnCl3(CH3)(C7H7OS)2]

Online May 2000


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Acta Cryst. (2000). C56, e178  [ doi:10.1107/S0108270100004819 ]

Bis(triethanolamine-O,O')nickel(II) diacetate

I. Krabbes, W. Seichter and K. Gloe

Synopsis: The title compound is isostructural with the copper(II) analogue. The structure consists of complex cations linked by hydrogen bonds to acetate anions.

Formula: [Ni(C6H15NO3)2](C2H3O2)2

Online May 2000


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Acta Cryst. (2000). C56, e179-e180  [ doi:10.1107/S0108270100004510 ]

(p-Nitrobenzoato)triphenyltin at 298 K

R. A. Howie, J. L. Wardell, S. M. S. V. Wardell and P. J. Cox

Synopsis: The structure of the title compound at 298 K is virtually identical to the 173 K structure reported previously [Weng, Das & Robinson (1990). Malays. J. Sci. 12, 57]. The primary coordination of the Sn atom in both molecules of the asymmetric unit is in the form of a distorted tetrahedron. The distortion towards a trigonal-bipyramidal arrangement is brought about by a weak interaction between the Sn atom and the carbonyl O atom of the benzoate moiety.

Formula: [Sn(C6H5)3(C7H4NO4)]

Online May 2000


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Acta Cryst. (2000). C56, e181-e182  [ doi:10.1107/S0108270100004728 ]

Pentacarbonyl(di-2-pyridylamine)tungsten(0)

B. S. Creaven, R. A. Howie and C. Long

Synopsis: In the structure of the title compound, the W atom is octahedral with one axial and four equatorial carbonyl groups, and with an axial monodentate dipyridylamine ligand having the secondary amine NH and the uncoordinated pyridyl N atom directed towards and away from the W atom, respectively.

Formula: [W(C10H9N3)(CO)5]

Online May 2000


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Acta Cryst. (2000). C56, e183-e184  [ doi:10.1107/S0108270100005230 ]

Bis(1-acetonylpyridinium) pyridinium hexaiodobismuth(III)

Y. Peng, S. Lu, D. Wu, Q. Wu and J. Huang

Synopsis: The crystal structure of the title complex, studied as part of a systematic investigation of Mo(W) main-group hybrid clusters, contains discrete [BiI6]3- anions together with (HNC5H5)+ and (CH3COCH2NC5H5)+ cations separated by normal van der Waals contacts. The [BiI6]3- anion has the Bi atom on an inversion centre. The (HNC5H5)+ cation also lies about an inversion centre and is disordered. The (CH3COCH2NC5H5)+ cation lies in a general position.

Formula: (C8H10NO)2(C5H6N)[BiI6]

Online May 2000


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Acta Cryst. (2000). C56, e185-e186  [ doi:10.1107/S0108270100005503 ]

Bis[bis(N,N-diethyl-1,1-diselenocarbamato)copper(II)], [Cu(Se2CNEt2)2]2

M. Bao, J. Weng, W. Su, R. Cao and M. Hong

Synopsis: The title centrosymmetric copper(II) binuclear complex, prepared to observe how C-Se bonds are activated by transition metal active centers, is built from two symmetry-related [Cu{Se2CN(Et)2}2] units by pairs of Cu-Se bonds. The coordination geometry at the unique Cu atom is distorted square pyramidal, displaying Cu-Se distances ranging from 2.4091 (11) to 2.9095 (10) Å.

Formula: [Cu2(C5H10NSe2)4]

Online May 2000


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Acta Cryst. (2000). C56, e187  [ doi:10.1107/S0108270100004492 ]

[1,2-Diphenyl-N,N'-bis(salicylidene)-(RR,SS)-1,2-ethanediyldiaminato]nitridomanganese(V)

H. Iwamoto, M. Tsuchimoto and S. Ohba

Synopsis: The title compound has a distorted square-pyramidal coordination with an Mn[triple bond]N bond length of 1.516 (2) Å at the apical position. The central five-membered chelate ring adopts a gauche conformation with the two phenyl groups in equatorial orientations.

Formula: [MnN(C28H22N2O2)]

Online May 2000


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Acta Cryst. (2000). C56, e188-e189  [ doi:10.1107/S0108270100004509 ]

The exo and endo isomers of [N,N'-bis(salicylidene)-1,2-diphenyl-(RS,SR)-1,2-ethanediyldiaminato]oxovanadium(IV)

G. Hoshina, M. Tsuchimoto and S. Ohba

Synopsis: The title complexes show monomeric structures with a distorted square-pyramidal coordination. The two phenyl groups on the central five-membered chelate ring are both on the same side of the oxo ligand for the exo isomer and on the opposite side for the endo isomer.

Formula: exo- and endo-[VO(C28H22N2O2)]

Online May 2000


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Acta Cryst. (2000). C56, e190  [ doi:10.1107/S0108270100004534 ]

exo-[N,N'-Bis(3-tert-butylsalicylidene)-1,2-diphenyl-(RS,SR)-1,2-ethanediyldiaminato]oxovanadium(IV)

G. Hoshina, M. Tsuchimoto and S. Ohba

Synopsis: The title mononuclear oxovanadium(IV) complex has a distorted square-pyramidal coordination. The complex was shown to be the exo isomer.

Formula: [VO(C36H38N2O2)]

Online May 2000


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Acta Cryst. (2000). C56, e191-e192  [ doi:10.1107/S0108270100005539 ]

Tris(1,10-phenanthroline-N,N')iron(II) dithiocyanate trihydrate

G. Hoshina, S. Ohba, N. Tsuchiya, T. Isobe and M. Senna

Synopsis: The title mononuclear iron(II) complex has a slightly distorted octahedral coordination. One of the thiocyanate ions and one of the water molecules of crystallization show positional disorder.

Formula: [Fe(C12H8N2)3](NCS)2·3H2O

Online May 2000


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Acta Cryst. (2000). C56, e193  [ doi:10.1107/S0108270100005540 ]

Tetra-[mu]-acetato-O:O'-bis[(7-azaindole-N)copper(II)]

Y. Kani, M. Tsuchimoto and S. Ohba

Synopsis: The title complex shows a binuclear cage structure having an inversion centre. There are intramolecular N-H...O hydrogen bonds between the 7-azaindole ligands and the bridging acetate O atoms.

Formula: [Cu2(C2H3O2)4(C7H6N2)2]

Online May 2000


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Acta Cryst. (2000). C56, e194  [ doi:10.1107/S0108270100005552 ]

[mu]-Acetato-O:O'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate

Y. Kani, S. Ohba and Y. Nishida

Synopsis: In the title complex, two [Mn(salen)] moieties are connected through a [mu]-acetate bridge in a syn-anti fashion. The Mn...Mn distance is 5.365 (1) Å.

Formula: [Mn2(C16H14N2O2)2(C2H3O2)]ClO4

Online May 2000


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Acta Cryst. (2000). C56, e195  [ doi:10.1107/S0108270100005564 ]

[mu]-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-[kappa]3N]chlorocopper(II)} perchlorate hemihydrate

Y. Kani, S. Ohba, S. Ito and Y. Nishida

Synopsis: In the title dinuclear CuII compound, the coordination geometry around the Cu atoms is square pyramidal, with the bridging Cl atom at the apical positions. The Cu-Cl-Cu angle is 136.9 (1)° and the Cu...Cu distance is 4.961 (1) Å.

Formula: [Cu2Cl3(C19H19N3)2]ClO4·0.5H2O

Online May 2000


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Acta Cryst. (2000). C56, e196  [ doi:10.1107/S0108270100005576 ]

[N'-Benzoyl-N,N-bis(2-pyridylmethyl-[kappa]N)ethylenediamine-[kappa]N]chlorocopper(II) hexafluorophosphate

Y. Kani, S. Ohba and Y. Nishida

Synopsis: The title mononuclear copper(II) complex shows a distorted square-planar coordination. The benzoylamino N atom does not coordinate to the Cu atom and is involved in a weak bifurcated hydrogen bond with two F atoms of the hexafluorophosphate anion.

Formula: [CuCl(C21H22N4O)]PF6

Online May 2000


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Acta Cryst. (2000). C56, e197  [ doi:10.1107/S0108270100005588 ]

[1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-[kappa]4N]chlorocopper(II) perchlorate

Y. Kani, S. Ohba, M. Kunita and Y. Nishida

Synopsis: The title mononuclear copper(II) compound shows a slightly tetrahedrally distorted square-pyramidal coordination with the chlorine ligand at the apical position. The directions of the two N-Me bond axes are syn with respect to the Cu-Cl bond.

Formula: [CuCl(C16H22N4)]ClO4

Online May 2000


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Acta Cryst. (2000). C56, e198  [ doi:10.1107/S010827010000559X ]

Chloro[N',N'-diethyl-N,N-bis(2-pyridylmethyl)ethylenediamine-[kappa]4N]copper(II) perchlorate

Y. Kani, S. Ohba, M. Kunita and Y. Nishida

Synopsis: The title mononuclear copper(II) complex shows a square-pyramidal coordination with the diethylamino N atom at the apical position. Large anisotropies in the displacement parameters of the non-H atoms of the ligand seem to be due to rotational disorder of the ClO4- anion.

Formula: [CuCl(C18H26N4)]ClO4

Online May 2000


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Acta Cryst. (2000). C56, e199-e200  [ doi:10.1107/S0108270100005679 ]

[N,N'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(RR,SS)-1,2-ethanediyldiaminato-O,N,N',O'](methanol-O)oxovanadium(IV) and [N,N'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-O,N,N',O']oxovanadium(IV) monohydrate

R. Uemura, M. Tsuchimoto and S. Ohba

Synopsis: The two title mononuclear oxovanadium(IV) complexes, (I) and (II), respectively, have distorted square-pyramidal coordination and the 3-carboxy groups form intramolecular O-H...O hydrogen bonds with the coordinated salicyl O atoms. In complex (I), the methanol ligand coordinates to the V atom trans with respect to the oxo ligand and is involved in an intermolecular O-H...O hydrogen bond.

Formula: [VO(C30H22N2O6)(CH3OH)] and [VO(C22H22N2O6)]·H2O

Online May 2000


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Acta Cryst. (2000). C56, e201  [ doi:10.1107/S0108270100005680 ]

Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate

Y. Kani, S. Ohba, S. Ito and Y. Nishida

Synopsis: The structure of the title copper(II) complex has been redetermined from an untwinned crystal. The structure was originally reported with insufficient accuracy because of a twinning problem [Adams, Bailey, Campbell, Fenton & He (1996). J. Chem. Soc. Dalton Trans. pp. 2233-2237]. The dinuclear phenolate-bridged CuII complex, which displays a long Cu-phenolic O atom bond, has an inversion centre.

Formula: [Cu2(C19H18N3O)2](ClO4)2

Online May 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e202-e204  [ doi:10.1107/S0108270100004480 ]

Ethylammonium and diethylammonium salts of chloranilic acid

H. Ishida and S. Kashino

Synopsis: In the crystals of the two title salts of chloranilic acid, the chloranilate ions are present as hydrogen-bonded dimers lying about inversion centres. The ethylammonium and diethylammonium ions link the dimers through N-H...O hydrogen bonds, forming a three-dimensional hydrogen-bond network in one structure and a one-dimensional chain in the other.

Formula: C4H12N+·C6HO4Cl2- and C2H8N+·C6HO4Cl2-

Online May 2000


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Acta Cryst. (2000). C56, e205-e206  [ doi:10.1107/S0108270100004522 ]

Methyl 3-para-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate

B. F. Baba, A. Kerbal, N. Bitit, B. El-Bali, J. Escudie, H. Ranaivonjatovo and M. Bolte

Synopsis: The title compound contains a planar isoxazole ring. An intramolecular hydrogen bond is formed between the OH group attached to a phenyl ring and a carbonyl O atom.

Formula: C19H15NO6

Online May 2000


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Acta Cryst. (2000). C56, e207-e208  [ doi:10.1107/S0108270100004546 ]

N-(p-Chlorophenyl)-3,3-diphenyl-4-([beta]-phenylstyryl)azetidin-2-one

M. Kabak, Y. Elerman, V. Güner and T. N. Durlu

Synopsis: In the title compound, the [beta]-lactam ring is essentially planar. The C-C bond opposite the lactam C-N bond is significantly lengthened to 1.591 (2) Å because of the ring substituents.

Formula: C35H26ClNO

Online May 2000


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Acta Cryst. (2000). C56, e209-e210  [ doi:10.1107/S0108270100004741 ]

A novel heterocyclic sulfonamide: N-benzyl-5-[N-benzyl-N-(tert-butyloxycarbonyl)amino]-N-(tert-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide

G. Camí, J. Server-Carrió, S. Fustero and J. Pedregosa

Synopsis: The study of acetazolamide-derived sulfonamides has led to the preparation and crystallographic characterization of a new member of this family of compounds with potential carbonic anhydrase inhibitory properties.

Formula: C26H32N4O6S2

Online May 2000


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Acta Cryst. (2000). C56, e211-e212  [ doi:10.1107/S0108270100004807 ]

A new amidrazone derivative with antimycobacterial activity

D. C. Billington, P. R. Lowe, D. L. Rathbone and C. H. Schwalbe

Synopsis: The title compound, N1-[4-(1,1-dimethylpropyl)benzylidene]pyridine-2-carboxamidrazone, is a particularly active antimycobacterial agent. Its aromatic rings are linked by a fully extended chain, with only small twists. The amino group makes intra- and intermolecular N-H...N contacts.

Formula: C18H22N4

Online May 2000


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Acta Cryst. (2000). C56, e213-e214  [ doi:10.1107/S0108270100005217 ]

1-Chloro-1,1-difluoro-N-(4-methoxyphenyl)-3-(pyrrolidin-2-ylidene)propan-2-imine

S. Fustero, M. García de la Torre and M. C. Ramírez de Arellano

Synopsis: In the title compound, the Z configuration has been confirmed. The molecular structure shows an intramolecular N-H...N hydrogen bond which could be responsible for the Z configuration.

Formula: C14H15ClF2N2O

Online May 2000


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Acta Cryst. (2000). C56, e215  [ doi:10.1107/S010827010000528X ]

(1R*,11R*)-Bicyclo[9.4.1]hexadecane-12,16-dione

C. Hollmann, M. Schürmann, H. Preut and P. Eilbracht

Synopsis: The structure analysis of the title macrobicyclic 1,3-diketone establishes a trans configuration of the two fused rings.

Formula: C16H26O2

Online May 2000


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Acta Cryst. (2000). C56, e216-e217  [ doi:10.1107/S0108270100005291 ]

2(S)-Amino-3-[1H-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(S)-amino-3-[1H-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride

J. T. Kovalainen, E. Wegelius, J. A. M. Christiaans, J. Huuskonen and J. Gynther

Synopsis: The title molecules, (I) and (II), respectively, exhibit different histamine H3-receptor activity and they are used as model compounds for evaluation of the activation mechanism of the H3 receptor.

Formula: C13H25N3O2+·2Cl- and C13H18BrN3O2+·2Cl-

Online May 2000


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Acta Cryst. (2000). C56, e218  [ doi:10.1107/S0108270100005485 ]

(1R*,2R*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane

H.-G. Weinig, U. Koert and B. Ziemer

Synopsis: The title compound was synthesized as a model compound for substituted diequatorial fixed vicinal trans-cyclohexanediols.

Formula: C12H22O4

Online May 2000


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Acta Cryst. (2000). C56, e219-e220  [ doi:10.1107/S0108270100005497 ]

Bis(N,N-diethyl-1,1-diselenocarbamato-Se)selenium, [(Se2CNEt2)2Se]

M. Bao, M. Hong, W. Su and R. Cao

Synopsis: The polyseleno title compound, bis(N,N-diethylselenocarbamoyl) triselenide, was obtained from the disproportion of sodium N,N-diethyl-1,1-diselenocarbamate. An Se atom connects two N,N-diethyl-1,1-diselenocarbamate groups with Se-Se distances in the range 2.4500 (11)-2.8601 (12) Å.

Formula: C10H20N2Se5

Online May 2000


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Acta Cryst. (2000). C56, e221  [ doi:10.1107/S0108270100004467 ]

N-Benzyl-N-(4-methoxyphenyl)cyclohex-1-enecarbothioamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The title thioamide undergoes photocyclization in the solid state. The central C=C-N-C(=S)-C=C moiety adopts a shape like a portion of a helix. Intramolecular rotation of the N-Ph ring does not seem to be disturbed by the 4-methoxy group.

Formula: C21H23NOS

Online May 2000


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Acta Cryst. (2000). C56, e222  [ doi:10.1107/S0108270100005606 ]

(1R,2R,3S,4S)-2-[(2R,3S)-2,3-Dimethyloxiran-2-yl]-3,4-bis(4-methoxybenzyloxy)cyclohexanol

Y. Kani, S. Ohba, S. Amano, N. Ogawa, M. Ohtsuka and N. Chida

Synopsis: The relative configuration was determined for the title compound, which was prepared in a synthetic study on immunosuppressant FR65814. There is an intramolecular hydrogen bond between the hydroxy and epoxy groups.

Formula: C26H34O6

Online May 2000


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Acta Cryst. (2000). C56, e223  [ doi:10.1107/S0108270100005618 ]

(2S,3R,4S,5R,6S)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate

Y. Kani, S. Ohba, T. Oishi, K. Ando, K. Inomiya and N. Chida

Synopsis: The relative configuration was determined for the title compound, which was prepared in a synthetic study on the natural product sphingofungin E. The six-membered ring adopts a chair form and the five substituents are all in axial positions.

Formula: C23H29NO11

Online May 2000


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Acta Cryst. (2000). C56, e224-e226  [ doi:10.1107/S0108270100005667 ]

tert-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and tert-butyl 2-(3-thioxopyrido[2,1-c][1,2,4]thiadiazol-8-yloxy)acetate

S. J. Coles, D. Douheret, M. B. Hursthouse, J. D. Kilburn and S. Rossi

Synopsis: The title compounds, (I) and (II), respectively, are two minor products of the reaction of tert-butyl 2-(2-amino-3-pyridyloxy)acetate with thiophosgene in chloroform. Compound (II) contains the novel 1,2,4-thiadiazolo[4,3-a]pyridine-3-thione fused-ring system.

Formula: C12H14N2O3S2 and C14H20N2O4S

Online May 2000


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Acta Cryst. (2000). C56, e227  [ doi:10.1107/S0108270100005692 ]

2-Acetyl-4H-benzothiazin-3(2H)-one

A. Keita, N. Ahabchane, E. M. Essassi and M. Pierrot

Synopsis: The title compound has a boat-shaped heterocyclic six-membered ring such that the S and N atoms lie essentially in the plane of the benzene ring while the remaining two C atoms are above this plane.

Formula: C10H9NO2S

Online 15 May 2000


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