Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 3 (March 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: 25,27:26,28-Bis(3,9-dioxo-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate with the water molecules omitted. Displacement ellipsoids are at the 50% probability level. See Kim et al. [Acta Cryst. C56, 379-381].

inorganic compounds


 

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Acta Cryst. (2000). C56, 265-266  [ doi:10.1107/S0108270199013712 ]

Cadmium copper tetrachloride tetrahydrate

U. Kortz and M. H. Dickman

Synopsis: Linear polymeric edge-sharing CdCl6 octahedra are connected into sheets by bridging CuCl4(H2O)2. Hydrogen bonding completes a three-dimensional network.

Formula: [CuCl2(H2O)2{CdCl2}]·2H2O

Online March 2000


 

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Acta Cryst. (2000). C56, 267-268  [ doi:10.1107/S0108270199014997 ]

Redetermination of the iron-zinc phase FeZn13

R. Belin, M. Tillard and L. Monconduit

Synopsis: The FeZn13 structure has been redetermined using diffraction data from a single crystal prepared by a flux method. In addition to Zn2 dumb-bells, the monoclinic cell contains Fe-centred Zn12 icosahedra which form infinite chains by vertex-sharing. Chains of icosahedra are linked by octahedra-sharing and by vertex-to-vertex bonding.

Formula: FeZn13

Online March 2000


 

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Acta Cryst. (2000). C56, 269-271  [ doi:10.1107/S0108270199015127 ]

Sn4.4Mo24O38

N. Barrier, J. Tortelier and P. Gougeon

Synopsis: The solid-state compound Sn4.4Mo24O38 is the first reduced molybdenum oxide in which infinite oxygen-molybdenum chains based on two different trans-edge-shared Mo6 octahedral clusters, i.e. dioctahedral Mo10 and trioctahedral Mo14 clusters, are present. The Sn2+ cations statistically occupy channels delimited by the Mo-O chains.

Formula: Sn4.4Mo24O38

Online March 2000


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Acta Cryst. (2000). C56, 272-273  [ doi:10.1107/S0108270199015644 ]

A new cluster complex, (NH4)6[Mo4Se4(CN)12]·6H2O, containing a tetranuclear mixed-valence molybdenum core

A. V. Virovets, V. P. Fedin, D. G. Samsonenko and W. Clegg

Synopsis: The title compound, hexaammonium tetra-[mu]3-selenido-tetrakis(tricyanomolybdenum) hexahydrate, has cyclic hydrogen-bonded [{(NH4)(H2O)}3]3+ cations and [Mo4Se4(CN)12]6- cubane cluster anions. The cation assembly consists of alternating ammonium and water molecules linked by N-H...O hydrogen bonds. Cations and anions are linked together by hydrogen bonds involving terminal N atoms of CN groups.

Formula: (NH4)6[Mo4Se4(CN)12]·6H2O

Online March 2000


 

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Acta Cryst. (2000). C56, 274-275  [ doi:10.1107/S0108270199015735 ]

Barium vanadium(III) hydrogen phosphate, Ba3V2(HPO4)6

W. T. A. Harrison and J. H. Buttery

Synopsis: The new crystal structure of Ba3V2(HPO4)6 consists of a three-dimensional network of vertex-sharing VIIIO6 and HPO4 groups which surround tunnels occupied by 12-coordinated Ba2+ cations.

Formula: Ba3V2(HPO4)6

Online March 2000


 

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Acta Cryst. (2000). C56, 276-278  [ doi:10.1107/S0108270199016042 ]

The monoclinic and cubic phases of metaboric acid (precise redeterminations)

C. C. Freyhardt, M. Wiebcke and J. Felsche

Synopsis: In monoclinic [beta]-HBO2, endless zigzag chains are linked via an extensive system of hydrogen bonds with stronger major and weaker minor components. The unique three-dimensional tetrahedral network structure of cubic [gamma]-HBO2 is stabilized by very short asymmetric hydrogen bonds and possesses small empty cages.

Formula: [beta]- and [gamma]-HBO2

Online March 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 279-281  [ doi:10.1107/S0108270199012135 ]

Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyliminopropenyl)chloro(methyl)aluminium bis{[tetrakis(pentafluorophenyl)borato]lithium} benzene solvate

I. A. Guzei, C. E. Radzewich and R. F. Jordan

Formula: [AlCl(CH3)(C15H13N2)][Li(C24BF20)]2·C6H6

Online March 2000


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Acta Cryst. (2000). C56, 282-283  [ doi:10.1107/S0108270199014687 ]

(2,2'-Dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrogen monoxide-N)ruthenium(III)

G. Bruno, F. Nicoló and G. Tresoldi

Formula: [Ru(NO2)2(OH)(C10H8N2S)(NO)]

Online March 2000


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Acta Cryst. (2000). C56, 284-288  [ doi:10.1107/S0108270199015024 ]

Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks

G. J. Reiss, A. Zimmer and K. Hegetschweiler

Formula: C5H21N54+·4Cl-·H2O and (C5H22N5)[ZnCl4]Cl3·H2O

Online March 2000


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Acta Cryst. (2000). C56, 289-290  [ doi:10.1107/S0108270199015036 ]

Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units

W.-S. You, E.-B. Wang, L. Xu, C.-W. Hu and G.-Y. Luan

Formula: [Cu2(C10H8N2)2{Mo2O7}]

Online March 2000


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Acta Cryst. (2000). C56, 291-292  [ doi:10.1107/S0108270199015176 ]

Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate

I. A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun, Y.-X. Tong, Z.-L. Lu and B.-S. Kang

Formula: [Zn(C4H13N3)2]2[Fe(CN)6]·4H2O

Online March 2000


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Acta Cryst. (2000). C56, 293-295  [ doi:10.1107/S010827019901536X ]

(2,2'-Bipyridine-[kappa]2N)bis[N-(2-pyridyl-[kappa]N)-p-toluenesulfonamido-[kappa]N]zinc(II)

S. Cabaleiro, J. Castro, J. Romero, J. A. García-Vázquez and A. Sousa

Formula: [Zn(C12H11N2O2S)2(C10H8N2)]

Online March 2000


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Acta Cryst. (2000). C56, 296-298  [ doi:10.1107/S0108270199015358 ]

Poly[trans-diaquamanganese(II)-[mu]-(3-pyridinecarboxylato-N:O)-[mu]-(3-pyridinecarboxylato-O:N)]

X. Hao, Y.-G. Wei, Q. Liu and S.-W. Zhang

Formula: [Mn(C6H4NO2)2(H2O)2]

Online March 2000


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Acta Cryst. (2000). C56, 299-300  [ doi:10.1107/S0108270199015371 ]

Dichlorodiethylbis(pyridine-N)tin(IV)

J. S. Casas, E. García-Martínez, A. Sánchez-González, J. Sordo and R. Villar

Formula: [Sn(C2H5)2Cl2(C5H5N)2]

Online March 2000


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Acta Cryst. (2000). C56, 301-302  [ doi:10.1107/S0108270199015474 ]

trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate

K. Panneerselvam, T.-H. Lu, T.-Y. Chi, S.-F. Tung and C.-S. Chung

Formula: [Cu(C12H28N4)(H2O)2]Cl2·2H2O

Online March 2000


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Acta Cryst. (2000). C56, 303-304  [ doi:10.1107/S0108270199015462 ]

The one-electron oxidation product of a metallocenyl-terminated cyanine

S. Barlow, M. W. Day and S. R. Marder

Formula: [FeRu(C5H5)(C9H13)(C17H19)](BF4)2

Online March 2000


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Acta Cryst. (2000). C56, 305-307  [ doi:10.1107/S0108270199015565 ]

Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid

N. Okabe and N. Oya

Formula: [Zn(C7H4NO4)2]·3H2O and [Cu(C7H4NO4)2]·H2O

Online March 2000


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Acta Cryst. (2000). C56, 308-309  [ doi:10.1107/S0108270199015711 ]

[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-[kappa]N2)pyridine-[kappa]N]bis(thiocyanato-N)copper(II)

P. Manikandan, K. R. Justin Thomas and P. T. Manoharan

Formula: [Cu(NCS)2(C17H21N5)]

Online March 2000


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Acta Cryst. (2000). C56, 310-311  [ doi:10.1107/S0108270199015838 ]

One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-O,S)oxovanadate(IV)

P. R. Challen, D. B. McConville and W. Youngs

Formula: Na(C24H20P)[V(C7H6OS)2O]

Online March 2000


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Acta Cryst. (2000). C56, 312-315  [ doi:10.1107/S0108270199015851 ]

Triaquatris([mu]-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris([mu]-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate

R. Baggio, M. Perec and M. T. Garland

Formula: [Nd(C4H4O5)3(H2O)6]·C4H6O5·2H2O and [Pr2(C4H4O5)3(H2O)3]·5H2O

Online March 2000


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Acta Cryst. (2000). C56, 316-318  [ doi:10.1107/S0108270199016169 ]

Aquatris(1,10-phenanthroline)(trans-2,3-dimethylacrylato)ytterbium(III)

W. Lu, B. Wu, L. Wang and Y. Lu

Formula: [Yb(C5H7O2)3(C12H8N2)(H2O)]

Online March 2000


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Acta Cryst. (2000). C56, 319-320  [ doi:10.1107/S0108270199015863 ]

Bis[N,N'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate

C. L. Foster, C. A. Kilner, M. Thornton-Pett and M. A. Halcrow

Formula: [Cu(C20H24N2)2]BF4

Online March 2000


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Acta Cryst. (2000). C56, 321-323  [ doi:10.1107/S0108270199016182 ]

Polymeric tetraaquatris(malonato)dilanthanum(III) monohydrate

B. Benmerad, A. Guehria-Laïdoudi, G. Bernardinelli and F. Balegroune

Formula: [La2(C3H2O4)3(H2O)4]·H2O

Online March 2000


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Acta Cryst. (2000). C56, 324-326  [ doi:10.1107/S0108270199016388 ]

Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C12H24N2O2X2Sn (X = Cl, Br or I)

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

Formula: [SnX_2(CH3)2(C5H9NO)2], X = Cl, Br and I

Online March 2000


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Acta Cryst. (2000). C56, 327-328  [ doi:10.1107/S0108270199016510 ]

(N-Maleoylglycinato)trimethyltin(IV)

M. Parvez, M. H. Bhatti, S. Ali, M. Mazhar and S. I. Qureshi

Formula: [Sn(CH3)3(C6H4NO4)]

Online March 2000


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Acta Cryst. (2000). C56, 329-331  [ doi:10.1107/S0108270199015449 ]

trans-(2-Methylthiobenzoato-O)phenylbis(triphenylphosphine)palladium(II), two conformational isomers

G. J. Kruger, C. Thompson, W. H. Meyer, R. Brüll and H. G. Raubenheimer

Formula: [Pd(C6H5)(C8H7O2S)(C18H15P)2]

Online March 2000


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Acta Cryst. (2000). C56, 332-333  [ doi:10.1107/S0108270199016480 ]

[2-(Isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate

C. Thompson, G. J. Kruger, W. H. Meyer, R. Brüll and H. G. Raubenheimer

Formula: [Pd(C6H5)(C10H11O2S)(C18H15P)]·C4H8O

Online March 2000


organic compounds


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Acta Cryst. (2000). C56, 334-335  [ doi:10.1107/S0108270199014821 ]

6-Aminonicotinic acid hydrochloride

J. Giantsidis and M. M. Turnbull

Formula: C6H7N2O2+·Cl-

Online March 2000


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Acta Cryst. (2000). C56, 336-338  [ doi:10.1107/S0108270199014985 ]

2-Amino derivatives of 5-nitrophenylacetamide

R. D. Clark, A. Romero, O. Ya. Borbulevych, M. Yu. Antipin, V. N. Nesterov and T. V. Timofeeva

Formula: C10H13N3O3, C11H15N3O3 and C12H17N3O3

Online March 2000


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Acta Cryst. (2000). C56, 339-340  [ doi:10.1107/S0108270199015139 ]

N-Piperonyl analogue of the atypical antipsychotic clozapine

B. Capuano, I. T. Crosby, R. W. Gable and E. J. Lloyd

Formula: C25H23ClN4O2

Online March 2000


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Acta Cryst. (2000). C56, 341-342  [ doi:10.1107/S0108270199015140 ]

2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone

D. B. Lovejoy, D. R. Richardson and P. V. Bernhardt

Formula: C13H13N3OS

Online March 2000


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Acta Cryst. (2000). C56, 343-344  [ doi:10.1107/S010827019901522X ]

5,11,17,23-Tetra-tert-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene-methanol (1/1)

P. Thuéry, M. Nierlich, Z. Asfari and J. Vicens

Formula: C54H72O10·CH4O

Online March 2000


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Acta Cryst. (2000). C56, 345-346  [ doi:10.1107/S0108270199015231 ]

5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one

H. N. Novoa de Armas, N. M. Blaton, O. M. Peeters, C. J. De Ranter, B. Pita, E. Sotelo, E. Ravinã and M. Suárez

Formula: C10H9N3O

Online March 2000


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Acta Cryst. (2000). C56, 347-348  [ doi:10.1107/S010827019901519X ]

N,N'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine

J. Mahía, M. A. Maestro, M. Vázquez, M. R. Bermejo, A. M. González and M. Maneiro

Formula: C30H30N4O4S2

Online March 2000


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Acta Cryst. (2000). C56, 349-350  [ doi:10.1107/S0108270199015243 ]

N-Benzyl-2'-iodocinnamanilide and N-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide

S. Renganayaki, E. Subramanian, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C22H18INO and C29H24INO

Online March 2000


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Acta Cryst. (2000). C56, 351-353  [ doi:10.1107/S0108270199015255 ]

(\pm)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-b]quinoline-1,8-dione

R. Simsek, A. Linden and C. Safak

Formula: C19H18BrNO3

Online March 2000


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Acta Cryst. (2000). C56, 354-355  [ doi:10.1107/S0108270199015267 ]

2-Bromo-5-hydroxybenzaldehyde

A. Matos Beja, J. A. Paixão, M. Ramos Silva, L. Alte da Veiga, A. M. d'A. Rocha Gonsalves and A. C. Serra

Formula: C7H5BrO2

Online March 2000


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Acta Cryst. (2000). C56, 356-357  [ doi:10.1107/S0108270199015280 ]

(m-CH3C6H4NH3)6P6O18

H. Marouani, M. Rzaigui and M. Bagieu-Beucher

Formula: 6C7H10N+·P6O186-

Online March 2000


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Acta Cryst. (2000). C56, 358-359  [ doi:10.1107/S0108270199015309 ]

(1S,4R,5R,6R)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid

A. Chiaroni, C. Riche, X. Cachet, B. Deguin, M. Koch and F. Tillequin

Formula: C20H28O8

Online March 2000


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Acta Cryst. (2000). C56, 360-361  [ doi:10.1107/S010827019901553X ]

6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one

V. S. Senthil Kumar and A. Nangia

Formula: C32H28O2

Online March 2000


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Acta Cryst. (2000). C56, 362-364  [ doi:10.1107/S0108270199015607 ]

3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine-dimethylformamide (1/1)

R. W. Janes

Formula: C9H8FN5·C3H7NO

Online March 2000


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Acta Cryst. (2000). C56, 365-368  [ doi:10.1107/S0108270199015619 ]

Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine

J. F. Gallagher, F. Brady and C. Murphy

Formula: Two isomers of C12H13NO4

Online March 2000


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Acta Cryst. (2000). C56, 369-370  [ doi:10.1107/S0108270199015723 ]

Costuslactone B

Q. Wang, B. Zhou and J. Zhai

Formula: C15H20O3

Online March 2000


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Acta Cryst. (2000). C56, 371-373  [ doi:10.1107/S0108270199015747 ]

7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (\pm)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids

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

Formula: C8H8O3 and C8H10O3

Online March 2000


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Acta Cryst. (2000). C56, 374-375  [ doi:10.1107/S0108270199015759 ]

Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline

K. Pluta and K. Suwinska

Formula: C19H13N3S

Online March 2000


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Acta Cryst. (2000). C56, 376-378  [ doi:10.1107/S010827019901584X ]

Two tetrahydrofuran solvates of HN(SePPh2)2

C. G. Pernin and J. A. Ibers

Formula: C24H21NP2Se2·C4H8O and C24H21NP2Se2·2C4H8O

Online March 2000


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Acta Cryst. (2000). C56, 379-381  [ doi:10.1107/S0108270199016327 ]

25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate

J. S. Kim, W. P. Jensen, C.-H. Lee, J.-H. Lee, M.-J. Kim, J.-G. Kim and I.-H. Suh

Formula: C44H54N2O8·4H2O

Online March 2000


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Acta Cryst. (2000). C56, 382-383  [ doi:10.1107/S0108270199016315 ]

2,6-Bis[bis(2-pyridiniomethyl)aminomethyl]-4-tert-butylphenol dichloride diperchlorate hydrate

J. T. Gomes, A. Hazell and C. J. McKenzie

Formula: C36H44N6O4+.2Cl-·2ClO4-·0.132H2O

Online March 2000


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Acta Cryst. (2000). C56, 384-385  [ doi:10.1107/S0108270199016479 ]

A new precursor for the synthesis of porphyrazine: 2,3-bis(4-methylphenyl)maleonitrile

C. Faulmann, P. Cassoux and A. E. Pullen

Formula: C18H14N2

Online March 2000


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Acta Cryst. (2000). C56, 386-388  [ doi:10.1107/S0108270199016492 ]

A novel class of fused heterocycles, benzo[b]furo[2,3-c]pyrroles

H. A. Trujillo, W. M. Simon, E. T. Pelkey, G. W. Gribble and J. P. Jasinski

Formula: Two isomers of C24H19NO

Online March 2000


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Acta Cryst. (2000). C56, 389-390  [ doi:10.1107/S0108270199016522 ]

An angularly fused three-ring precursor to phytuberin

I. A. Guzei, X. Wang and G. A. Kraus

Formula: C14H20O4

Online March 2000


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Acta Cryst. (2000). C56, 391-392  [ doi:10.1107/S0108270199016534 ]

N-Ethylazatribenzo-21-crown-7

J. C. Bryan, J. M. Lavis, B. P. Hay and R. A. Sachleben

Formula: C28H33NO6

Online March 2000


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Acta Cryst. (2000). C56, 393-396  [ doi:10.1107/S0108270199011737 ]

4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone

M. Lewis, C. L. Barnes and R. Glaser

Formula: C17H17ClN2O

Online March 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e73-e74  [ doi:10.1107/S0108270100001505 ]

A single-crystal neutron diffraction study of RbTiOAsO4

J. Nordborg née Almgren, G. Svensson and J. Albertsson

Synopsis: The rubidium titanyl arsenate structure has been reinvestigated giving a structural model with well defined oxygen sites and reasonable displacement parameters.

Formula: RbTiOAsO4

Online March 2000


 

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Acta Cryst. (2000). C56, e75-e76  [ doi:10.1107/S0108270100001530 ]

Tetrapotassium disodium decavanadate(V) decahydrate

P. M. Matias, J. C. Pessoa, M. T. Duarte and C. Madeira

Synopsis: The title compound was obtained while attempting to produce N-salicylidenetyrosinate oxovanadium complexes at pH ~ 5 and probably resulted from the slow oxidation of VIVO2+ by atmospheric oxygen. Several decavanadate salts have been obtained under similar conditions.

Formula: K4Na2[V10O28]·10H2O

Online March 2000


 

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Acta Cryst. (2000). C56, e77  [ doi:10.1107/S0108270100002262 ]

Redetermination of [Ni(NH3)6]Cl2 at 173 K

M. Wagner, H.-W. Lerner and M. Bolte

Synopsis: The structure of hexaamminenickel(II) dichloride, originally determined at room temperature, has been redetermined at 173 K. There are no significant differences between these structures.

Formula: [Ni(NH3)6]Cl2

Online March 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e78  [ doi:10.1107/S0108270100002250 ]

[{Me4C2(C5H4)2}Zr(BH4)2], a bis(tetrahydroborate) complex of a bridged zirconocene

F. Schaper and H.-H. Brintzinger

Synopsis: The title compound, bis(tetrahydroborato)[1,1,2,2-tetramethyl-1,2-ethylenebis([eta]5-cyclopentadienyl)]zirconium, was obtained from the reaction of the zirconocene dichloride with lithium tetrahydroborate. The molecule adopts an approximate C2v symmetry. Both tetrahydroborate ligands are [eta]2-coordinated and tilted by 18-19° out of the equatorial plane.

Formula: [Zr(BH4)2(C16H20)]

Online March 2000


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Acta Cryst. (2000). C56, e79  [ doi:10.1107/S0108270100002274 ]

trans-Diaquabis(N-acetylanthranilato-O,O')copper(II)

Y. Kani, M. Tsuchimoto and S. Ohba

Synopsis: The title complex shows a square-planar coordination and has an inversion centre at the Cu atom. The carboxylate group of the N-acetylanthranilate ion acts as a monodentate donor ligand to copper and as an acceptor of an intramolecular hydrogen bond from the coordinated water molecule.

Formula: [Cu(C9H8NO3)2(H2O)2]

Online March 2000


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Acta Cryst. (2000). C56, e80-e81  [ doi:10.1107/S0108270100002304 ]

catena-Poly[[tetrakis([mu]-2,2-dimethylpropionato-O:O')dicopper(II)]-[mu]-dioxane-O:O'] and catena-poly[[tetrakis([mu]-3,3-dimethylbutyrato-O:O')dicopper(II)]-[mu]-dioxane-O,O']

Y. Kani, M. Tsuchimoto, S. Ohba and T. Tokii

Synopsis: The two title compounds are isomorphous. The binuclear CuII units have a cage structure and are linked by dioxane molecules to form a zigzag chain along the c axis. The binuclear copper unit and the dioxane ligand each has an inversion centre.

Formula: [Cu2(C5H9O2)4(C4H8O2)] and [Cu2(C6H11O2)4(C4H8O2)]

Online March 2000


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Acta Cryst. (2000). C56, e82-e83  [ doi:10.1107/S0108270100002298 ]

Hexakis(antipyrine-O)terbium(III) triperchlorate

C.-Y. Su, X.-P. Yang, A.-W. Xu, Z.-F. Zhang, H.-K. Liu and B.-S. Kang

Synopsis: In the title compound, the Tb atom of the trianionic cation lies on a site of \overline 3 crystallographic symmetry and the unique Tb-O distance is 2.278 (2) Å. One of the perchlorate anions has threefold crystallographic symmetry, while the other is disordered about a \overline 3 site.

Formula: [Tb(C11H12N2O)6](ClO4)3

Online March 2000


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Acta Cryst. (2000). C56, e84-e85  [ doi:10.1107/S0108270100002407 ]

Bis[N,N-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)

A. A. Yang Farina, A. H. Othman, I. Baba, K. Sivakumar, H.-K. Fun and S. W. Ng

Synopsis: The title compound has crystallographic mirror symmetry and the coordination polyhedron around the Sn atom is a tetrahedron [C-Sn-C 139.3 (2)° and S-Sn-S 82.3 (1)°] distorted towards a skew-trapezoidal bipyramid owing to an intramolecular Sn...S contact [3.0427 (6) Å]. The molecules are linked into a linear chain by intermolecular O-H...O hydrogen bonds [O...O 2.646 (3) Å].

Formula: [Sn(CH3)2(C5H10NO2S2)2]

Online March 2000


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Acta Cryst. (2000). C56, e86-e87  [ doi:10.1107/S0108270100002432 ]

Orthorhombic modification of triphenyltin 3-ureidopropionate

S. W. Ng

Synopsis: The Sn atom in the title compound is five-coordinate and has a trans-C3SnO2 trigonal-bipyramidal geometry arising from bridging through the O atom of the ureido fragment of an adjacent carboxylate group. Infinite chains propagate helically along the c axis and adjacent chains are linked by N-H...O hydrogen bonds into layers.

Formula: [Sn(C6H5)3(C4H7N2O3)]

Online March 2000


 

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Acta Cryst. (2000). C56, e88-e89  [ doi:10.1107/S0108270100002535 ]

A highly functionalized ferrocenylpyrazolo[2,3-a]pyridine

S. Sarkhel, P. Srivastava, V. J. Ram, P. R. Maulik, C. K. Broder and J. A. K. Howard

Synopsis: The crystal structure analysis of the substituted ferrocene complex 2-[2-(4-bromophenyl)-4-cyano-5-ferrocenylpyrazolo[2,3-a]pyridin-7-yl]acetonitrile shows that the pyrazolopyridine ring system, the bromophenyl ring and the cyclopentadiene ring are nearly planar.

Formula: [Fe(C5H5)(C21H12BrN4)]

Online March 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e90-e91  [ doi:10.1107/S0108270100001219 ]

2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate

Y. Yao, W. Zeng, B. Zhang, Y. Liu and D. Zhu

Synopsis: Two centrosymmetrically related donors in the title charge-transfer complex form a face-to-face [pi]-dimer with a strong intermolecular S...S interaction, and the [pi]-dimers stack to form a donor column. The structure is extensively hydrogen bonded.

Formula: C14H20O4S8+·BF4-

Online March 2000


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Acta Cryst. (2000). C56, e92-e93  [ doi:10.1107/S0108270100001499 ]

2,2'-Bi(9,9-dihexylfluorene)

B. Suchod and O. Stéphan

Synopsis: In the title compound, a luminescent fluorene dimer, the substituent chains lie on one side of the molecule. Ring planes of neighbouring molecules are approximately perpendicular so that there is no [pi]-stacking.

Formula: C50H66

Online March 2000


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Acta Cryst. (2000). C56, e94  [ doi:10.1107/S0108270100001517 ]

Pyridinium dihydrogenmonothiophosphate

B. Ziemer and A. Rabis

Synopsis: In the reaction of pyridine dithiomonometaphosphoryl fluoride with ethyldiphenylphospine, the title compound was formed as a by-product due to traces of water in the system.

Formula: C5H6N+·H2PSO3-

Online March 2000


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Acta Cryst. (2000). C56, e95  [ doi:10.1107/S0108270100002390 ]

A monoclinic polymorph of bis(tert-butylperthiophosphonic) dianhydride

B. Ziemer and H.-U. Steinberger

Synopsis: In comparison with the known orthorhombic polymorph of the title compound, the crystal structure of the monoclinic polymorph reported here is more closely packed.

Formula: C8H18P2S4

Online March 2000


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Acta Cryst. (2000). C56, e96-e97  [ doi:10.1107/S0108270100001529 ]

Caulerpin

M. Parvez, J. Ara, V. Sultana, R. Qasim and V. U. Ahmad

Synopsis: The crystal structure of the indole alkaloid caulerpin, previously reported in space group Cc, has been redetermined in the correct space group, C2/c. The molecule has twofold crystallographic symmetry and is composed of two essentially planar indole groups fused to an eight-membered cyclooctatetraene ring which adopts a boat conformation.

Formula: C24H18N2O4

Online March 2000


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Acta Cryst. (2000). C56, e98-e99  [ doi:10.1107/S0108270100001566 ]

Tribenzylphosphine oxide

H. Novoa de Armas, H. Pérez, O. M. Peeters, N. M. Blaton, C. J. De Ranter and J. M. López

Synopsis: The title compound has crystallographic threefold symmetry, with the P-O bond along the threefold axis. Main dimensions include P-O 1.488 (4), P-C 1.823 (3) Å and O-P-C 114.7 (1)°.

Formula: C21H21OP

Online March 2000


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Acta Cryst. (2000). C56, e100  [ doi:10.1107/S0108270100001712 ]

N-Acetyl-L-phenylalanine

K. L. Stout, K. J. Hallock, J. W. Kampf and A. Ramamoorthy

Synopsis: In the title compound, the crystal packing shows that the molecules are linked by N-H...O and O-H...O hydrogen bonds.

Formula: C11H13NO3

Online March 2000


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Acta Cryst. (2000). C56, e101-e102  [ doi:10.1107/S0108270100001797 ]

Bis[2-(diphenylphosphinoyl)benzene] disulfide

P. Perez-Lourido, J. A. García-Vázquez, J. Romero, P. Fernandez, A. Sousa-Pedrares and A. Sousa

Synopsis: The title compound, obtained by electrochemical oxidation of 2-(diphenylphosphino)benzenethiol, has twofold crystallographic symmetry. Principal dimensions include S-S 2.0212 (15) Å, S-C 1.786 (3) Å and C-S-S-C 81.34 (14)°.

Formula: C36H28O2P2S2

Online March 2000


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Acta Cryst. (2000). C56, e103-e104  [ doi:10.1107/S0108270100001840 ]

The low-temperature study of D- and DL-camphoric anhydride

P. Kumaradhas, D. C. Levendis and T. Koritsanszky

Synopsis: Although the two enantiomers crystallize in different space groups, the cell volumes, densities and the packing of the racemic and chiral structures are essentially the same. The main difference in the molecular stuctures can be described by the torsion angles associated with the H atoms of the methyl substituents.

Formula: D- and DL-C10H14O3

Online March 2000


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Acta Cryst. (2000). C56, e105-e106  [ doi:10.1107/S0108270100001852 ]

A T-shaped selenenyl halide

Z. Majeed, W. R. McWhinnie and P. R. Lowe

Synopsis: 3-Iodo-2-phenyl-3H-3-selenaindazole has an almost planar conformation and a nearly ideal T-shape for the Se(INC) moiety [Se-I 2.8122 (12), Se-C 1.881 (7) and Se-N2 2.051 (6) Å; C-Se-N 79.6 (3), C-Se-I 96.8 (2) and N-Se-I 176.17 (17)°]. This arrangement, together with the two selenium lone pairs, leads to a distorted trigonal-bipyrimidal geometry about the Se atom.

Formula: C12H9IN2Se

Online March 2000


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Acta Cryst. (2000). C56, e107-e108  [ doi:10.1107/S0108270100001864 ]

trans-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene

V. N. Nesterov, V. P. Kislyi, T. V. Timofeeva, M. Yu. Antipin and V. V. Semenov

Synopsis: The [pi]-conjugated molecule of the title compound is almost planar. Molecules in the crystal are packed in stacks with antiparallel molecular orientation and slightly alternating distances [3.37 (7) and 3.41 (8) Å] between mean molecular planes.

Formula: C10H8N2O3

Online March 2000


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Acta Cryst. (2000). C56, e109-e110  [ doi:10.1107/S0108270100002286 ]

7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide

A. D. Brewer, G. Ferguson and A. A. Znotins

Synopsis: The structures of a 2-oxa-5-thiabicyclo[4.1.0]heptane derivative, (I), and a 2H,3H,5H-1,4-dithiepine derivative, (II), are reported. The six-membered ring in (I) has an envelope conformation and the seven-membered ring in (II) adopts a chair conformation.

Formula: C7H9ClO4S2 and C7H10Cl2O3S

Online March 2000


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Acta Cryst. (2000). C56, e111-e112  [ doi:10.1107/S0108270100002419 ]

Bis(dicyclohexylammonium) adipate monohydrate

Y.-Y. Yang, X.-M. Chen and S. W. Ng

Synopsis: In the asymmetric unit of the title compound, 2C12H24N+·C6H8O42-·H2O, the carboxylate anion lies about an inversion center, the water molecule is on a twofold axis and the sec-ammonium cation is in a general position. Cations link the oxygen ends of two adjacent carboxylate anions to form an eight-membered ring. The ion pair propagates as a linear chain and adjacent chains are linked through the water molecules into layers.

Formula: 2C12H24N+·C6H8O42-·H2O

Online March 2000


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Acta Cryst. (2000). C56, e113-e114  [ doi:10.1107/S0108270100002511 ]

Bis(N,N-dimethylthiocarbamoylthio)acetic acid

S. Muniandy, K. S. Low, P. Naumov, S. Shanmuga Sundara Raj, H.-K. Fun, I. A. Razak and S. W. Ng

Synopsis: The title compound exists in the solid state as a centrosymmetric hydrogen-bonded dimer [O...O 2.661 (3) Å].

Formula: C8H14N2O2S4

Online March 2000


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Acta Cryst. (2000). C56, e115-e116  [ doi:10.1107/S0108270100002523 ]

Sparfloxacin, an antibacterial drug

A. Sivalakshmidevi, K. Vyas and G. Om Reddy

Synopsis: The title compound is an antibacterial drug. The molecule, which crystallizes as a trihydrate, is in the zwitterionic form in the solid state. Hydrogen bonds stabilize the molecules in the lattice.

Formula: C19H22F2N4O3·3H2O

Online March 2000


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