Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 1 (January 2007)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Part of the crystal structure of ethyl 5-amino-1-(4-chlorophenyl)-1H-imidazole-4-carboxylate, showing the formation of a hydrogen-bonded chain along [001]. For the sake of clarity, H atoms not involved in the motifs shown have been omitted and only one orientation of the disordered ethyl group is shown. See Costa, Boechat, Wardell, Ferreira, Low & Glidewell [Acta Cryst. (2007), C63, o33-o37].

inorganic compounds


 

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Acta Cryst. (2007). C63, i1-i3  [ doi:10.1107/S0108270106047949 ]

Orientational disorder of [Mg(H2O)6] octahedra in the novel magnesium selenite hydrate Mg(SeO3)·7.5H2O

M. Fleck

Synopsis: The crystal structure of magnesium selenite 7.5-hydrate is characterized by two crystallographically distinct [Mg(H2O)6]2+ octahedra, one of which is disordered over two different orientations. The selenite groups and water molecules (with partially disordered H atoms) bridge the octahedra via hydrogen bonds.

Formula: Mg(SeO3)·7.5H2O

Online 23 December 2006


 

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Acta Cryst. (2007). C63, i4-i6  [ doi:10.1107/S0108270106050621 ]

Monoclinic Cu3(SeO3)2Cl2: an oxohalide with an unusual CuO4Cl trigonal-bipyramidal coordination

R. Becker, H. Berger and M. Johnsson

Synopsis: The structure of monoclinic Cu3(SeO3)2Cl2 is based on layers of CuO4Cl trigonal bipyramids, CuO4 square planes and SeO3E tetrahedra. The Cu polyhedra are connected by edge- and corner-sharing to form [010] chains and these chains are bridged by the Se atoms to form (001) layers. The compound is isostructural with Cu3(TeO3)2Br2.

Formula: Cu3(SeO3)2Cl2

Online 23 December 2006


 

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Acta Cryst. (2007). C63, i7-i9  [ doi:10.1107/S0108270106050839 ]

Mg2Ru2Cl10O·16H2O

S. Boufas, H. Merazig, L. Bendjeddou, G. Dénés, A. Beghidja and A. G. Moliterni

Synopsis: The structure of Mg2Ru2Cl10O·16H2O consists of layers of [Ru2Cl10O]4- anions, [Mg(H2O)6]2+ cations and water molecules stacked along the a axis. Only the O atom bonded to Ru occupies the 2a site with \\overline{1} symmetry. All the other atoms occupy general 4e sites. The crystal structure is stabilized by O-H...O and O-H...Cl interactions.

Formula: Mg2Ru2Cl10O·16H2O

Online 23 December 2006


 

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Acta Cryst. (2007). C63, i10-i12  [ doi:10.1107/S0108270106039916 ]

Ca1.5Eu3Sn0.5O7: a calcium europium tin oxide with a novel structure

Y. Kaminaga, T. Yamada and H. Yamane

Synopsis: A new quaternary compound in the Ca-Eu-Sn-O system, namely calcium europium tin heptaoxide, Ca1.5Eu3Sn0.5O7, was prepared by solid-state reaction at 2073 K. All atoms in the structure are on 4i special positions (on mirrors) in space group C2/m. Ca/Eu sites are situated within two O octahedra and within two sevenfold coordination sites surrounded by O-capped trigonal prisms. A Ca/Eu/Sn site is coordinated by five O atoms. The compound has a new structure related to the structure of B-form Eu2O3.

Formula: Ca1.5Eu3O7Sn0.5

Online 23 December 2006


metal-organic compounds


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Acta Cryst. (2007). C63, m1-m3  [ doi:10.1107/S0108270106043265 ]

Bis[bis(methoxycarbimido)amine-[kappa]2N,N']bis(perchlorato-[kappa]O)copper(II) bis[bis(methoxycarbimido)amine-[kappa]2N,N']bis(methanol-[kappa]O)copper(II) bis(perchlorate) methanol disolvate

G.-F. Liu, L.-L. Li, Y. Zhang, J.-P. Lang and S. W. Ng

Formula: [Cu(ClO4)2(C4H9N3O2)2][Cu(C4H9N3O2)2(CH4O)2](ClO4)2·2CH4O

Online 12 December 2006


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Acta Cryst. (2007). C63, m4-m6  [ doi:10.1107/S0108270106047196 ]

Poly[diaqua([mu]-4,4'-bipyridine)tetrakis([mu]-ferrocenecarboxylato)bis(ferrocenecarboxylato)trimanganese(II)]

W.-J. Lu, Y.-M. Zhu and K.-L. Zhong

Formula: [Mn3Fe6(C5H5)6(C6H4O2)6(C10H8N2)(H2O)2]

Online 12 December 2006


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Acta Cryst. (2007). C63, m7-m9  [ doi:10.1107/S0108270106048530 ]

Two square-planar palladium(II) complexes with P,O-bidentate hybrid ligands

M. R. J. Elsegood, M. B. Smith and S. H. Dale

Formula: [Pd(CH3)Cl(C24H21NOP2)]·C2H6OS and [Pd(CH3)Cl(C23H25O2P)]

Online 12 December 2006


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Acta Cryst. (2007). C63, m10-m12  [ doi:10.1107/S0108270106047822 ]

Bis([mu]-3-nitrobenzene-1,2-dicarboxylato)-[kappa]8O1,O2:O2,O3;O3,O2:O2,O1-bis[triaqua(2-carboxy-3-nitrobenzoato-[kappa]2O,O')lanthanum(III)] dihydrate

L.-Q. Xiong and C.-M. Qi

Formula: [La2(C8H3NO6)2(C8H4NO6)2(H2O)6]·2H2O

Online 12 December 2006


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Acta Cryst. (2007). C63, m13-m15  [ doi:10.1107/S0108270106050591 ]

Bis(acesulfamato-[kappa]O4)diaquabis(3-methylpyridine-[kappa]N)nickel(II)

N. Dege, H. Içbudak and E. Adiyaman

Formula: [Ni(C4H4NO4S)2(C6H7N)2(H2O)2]

Online 12 December 2006


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Acta Cryst. (2007). C63, m16-m18  [ doi:10.1107/S0108270106051870 ]

An organometallic compound with Z' = 4: {2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl-[kappa]2C1,N}iodo(triphenylphosphine-[kappa]P)palladium(II)

P. G. Jones and J. López-Serrano

Formula: [Pd(C19H17NO4)I(C18H15P)]

Online 23 December 2006


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Acta Cryst. (2007). C63, m19-m21  [ doi:10.1107/S0108270106044751 ]

A novel mixed-valence copper complex, poly[[[mu]2-4,4'-bipyridine-[mu]3-pyridine-2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]

Y.-R. Dong, X.-W. Wang and Y.-Q. Zheng

Formula: [Cu2(C8H2NO6)(C10H8N2)]·H2O

Online 23 December 2006


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Acta Cryst. (2007). C63, m22-m26  [ doi:10.1107/S010827010605102X ]

catena-Poly[[bis([mu]2-4-methylbenzoato-[kappa]2O:O')disilver(I)(Ag-Ag)]-[mu]2-di-2-pyridylamine-[kappa]2N2:N2'] and catena-poly[[(di-2-pyridylamine-[kappa]N2)([mu]2-4-nitrobenzoato-[kappa]2O:O')disilver(I)(Ag-Ag)]-[mu]3-4-nitrobenzoato-[kappa]3O:O':O']

M. Odoko, T. Ise and N. Okabe

Formula: [Ag2(C8H7O2)2(C10H9N3)] and [Ag2(C7H4NO4)2(C10H9N3)]

Online 23 December 2006


 

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Acta Cryst. (2007). C63, m27-m29  [ doi:10.1107/S010827010605044X ]

1,4,8,11-Tetraazacyclotetradecane antimony(III) sulfide

R. J. E. Lees, A. V. Powell, D. J. Watkin and A. M. Chippindale

Synopsis: Poly[1,4,8,11-tetraazacyclotetradecane(2+) [hepta-[mu]-sulfido-trisulfidohexaantimony(III)]], {(C10H26N4)[Sb6S10]}n, was synthesized solvothermally using the macrocyclic tetramine 1,4,8,11-tetraazacyclotetradecane (cyclam) as the structure-directing agent. The structure consists of novel [Sb6S10]2- layers containing Sb2S2, Sb4S4 and Sb7S7 hetero-rings, which are separated by macrocyclic amine molecules. The macrocylic amine molecules are disordered over two crystallographically distinct positions and are diprotonated in order to balance the charge of the anionic layers.

Formula: (C10H20N4)[Sb6S10]

Online 23 December 2006


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Acta Cryst. (2007). C63, m30-m32  [ doi:10.1107/S0108270106044726 ]

A new trinuclear cobalt(II) complex: decaaqua-1[kappa]3O,2[kappa]4O,3[kappa]3O-bis(benzene-1,3,5-tricarboxylato)-1[kappa]O,3[kappa]O-di-[mu]-4,4'-bipyridine-1:2[kappa]2N:N';2:3[kappa]2N:N'-di-4,4'-bipyridine-1[kappa]N,3[kappa]N-tricobalt(II) 4,4'-bipyridine solvate octahydrate

H.-Z. Xie, Z.-F. Li and Y.-Q. Zheng

Formula: [Co3(C9H3O6)2(C10H8N2)4(H2O)10]·C10H8N2·8H2O

Online 23 December 2006


organic compounds


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Acta Cryst. (2007). C63, o1-o3  [ doi:10.1107/S0108270106047834 ]

Bis(tert-butylsulfonyl)ethyne and 1-tert-butylsulfinyl-2-tert-butylsulfonylethyne

D. B. Werz, F. Ohlbach, F. Rominger and R. Gleiter

Formula: C10H18O4S2 and C10H18O3S2

Online 12 December 2006


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Acta Cryst. (2007). C63, o4-o6  [ doi:10.1107/S0108270106046452 ]

A new pseudopolymorph of hexakis(4-cyanophenyl)benzene

E. Gagnon, K. E. Maly, T. Maris and J. D. Wuest

Formula: C48H24N6·2CH2Cl2

Online 12 December 2006


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Acta Cryst. (2007). C63, o7-o10  [ doi:10.1107/S0108270106048591 ]

The concomitant crystallization of two polymorphs of 1-deoxy-[alpha]-D-tagatose

N. A. Jones, S. F. Jenkinson, R. Soengas, K. Izumori, G. W. J. Fleet and D. J. Watkin

Formula: C6H12O5

Online 12 December 2006


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Acta Cryst. (2007). C63, o11-o13  [ doi:10.1107/S0108270106048566 ]

Conformation and structure of bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate

R. Chitra, V. Thiruvenkatam, R. R. Choudhury, M. V. Hosur and T. N. Guru Row

Formula: 2C6H11N2O5+·C2O42-·0.4H2O

Online 12 December 2006


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Acta Cryst. (2007). C63, o14-o16  [ doi:10.1107/S0108270106048451 ]

o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing

D. Britton

Formula: C7H4ClN and C7H4BrN

Online 12 December 2006


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Acta Cryst. (2007). C63, o17-o20  [ doi:10.1107/S0108270106049468 ]

Hydrogen bonding in two solid phases of phenazine-chloranilic acid (1/1) determined at 170 and 93 K

K. Gotoh, T. Asaji and H. Ishida

Formula: C12H8N2·C6H2Cl2O4 and C12H9N2+·C6HCl2O4-

Online 12 December 2006


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Acta Cryst. (2007). C63, o21-o25  [ doi:10.1107/S0108270106050360 ]

Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions

J. Portilla, E. G. Mata, M. Nogueras, J. Cobo, J. N. Low and C. Glidewell

Formula: C13H15N3O2, C15H19N3O2 and C11H11N3O2·H2O

Online 12 December 2006


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Acta Cryst. (2007). C63, o26-o28  [ doi:10.1107/S0108270106044817 ]

7-Amino-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine: a three-dimensional framework structure built from two N-H...N hydrogen bonds

J. Portilla, J. Quiroga, J. Cobo, J. N. Low and C. Glidewell

Formula: C11H16N4

Online 12 December 2006


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Acta Cryst. (2007). C63, o29-o32  [ doi:10.1107/S0108270106050335 ]

Hydrogen-bonded chains in 3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1-phenyl-1H-pyrazole

R. Abonía, E. Rengifo, J. Cobo, J. N. Low and C. Glidewell

Formula: C21H25N3O and C28H30N6O

Online 12 December 2006


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Acta Cryst. (2007). C63, o33-o37  [ doi:10.1107/S0108270106048402 ]

Three ethyl 5-amino-1-aryl-1H-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions

M. S. Costa, N. Boechat, S. M. S. V. Wardell, V. F. Ferreira, J. N. Low and C. Glidewell

Formula: C13H12N4O2, C12H12ClN3O2 and C12H11F2N3O2

Online 12 December 2006


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Acta Cryst. (2007). C63, o38-o41  [ doi:10.1107/S0108270106044611 ]

Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate

J. Portilla, E. G. Mata, M. Nogueras, J. Cobo, J. N. Low and C. Glidewell

Formula: C12H12N4O4 and C13H12N4O2

Online 12 December 2006


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Acta Cryst. (2007). C63, o42-o44  [ doi:10.1107/S0108270106050451 ]

3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate redetermined at 120 K: sheets built from O-H...O, O-H...N, N-H...O and C-H...O hydrogen bonds

S. M. S. V. Wardell, J. L. Wardell, J. N. Low, C. Glidewell and M. V. N. de Souza

Formula: C13H10N4O3·H2O

Online 12 December 2006


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Acta Cryst. (2007). C63, o45-o47  [ doi:10.1107/S0108270106049985 ]

Cyclic trihydroxamic acid derivatives

I. Đilovic, D. Matkovic-Calogovic, I. Kos, M. Birus and M. Jadrijevic-Mladar Takac

Formula: C3H3N3O6·2H2O and C24H21N3O6

Online 12 December 2006


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Acta Cryst. (2007). C63, o48-o50  [ doi:10.1107/S0108270106050840 ]

Diisopropylammonium 2-[(2,4-dinitrophenyl)sulfanylaminocarbonyl]benzoate

I. Brito, D. Vargas, A. Reyes, A. Cárdenas and M. López-Rodríguez

Formula: C6H16N+·C14H8N3O7S-

Online 12 December 2006


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Acta Cryst. (2007). C63, o51-o53  [ doi:10.1107/S0108270106044908 ]

Hydrogen bonding and [pi]-[pi] stacking in 6-hydroxybiochanin A monohydrate

Z.-T. Zhang and Y.-C. Wang

Formula: C16H12O6·H2O

Online 12 December 2006


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Acta Cryst. (2007). C63, o54-o57  [ doi:10.1107/S0108270106050736 ]

2'-Deoxy-5-propynylcytidine: a nucleoside forming two solid-state conformations

F. Seela, S. Budow, H. Eickmeier and H. Reuter

Formula: C12H15N3O4

Online 12 December 2006


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Acta Cryst. (2007). C63, o58-o60  [ doi:10.1107/S0108270106052474 ]

Pearls on a string: a Z' = 7 structure for glycyl-L-valine

C. H. Görbitz, S. Agustsdottir and F. Bleken

Formula: C7H14N2O3

Online 23 December 2006


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Acta Cryst. (2007). C63, o61-o64  [ doi:10.1107/S0108270106050979 ]

Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene

I. Halasz, K. Lukic and H. Vancik

Formula: 2C12H12N3+·HPO42- and C12H12N3+·H2PO4-·H3PO4

Online 23 December 2006


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Acta Cryst. (2007). C63, o65-o67  [ doi:10.1107/S0108270106051201 ]

Cyano-stabilized triphenylphosphonium ylids

F. Castañeda, C. A. Bunton, R. Baggio and M. T. Garland

Formula: C22H18NO2P and C22H18NOP

Online 23 December 2006


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Acta Cryst. (2007). C63, o68-o72  [ doi:10.1107/S0108270106052486 ]

2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions

M. A. Peralta, M. N. V. de Souza, S. M. S. V. Wardell, J. L. Wardell, J. N. Low and C. Glidewell

Formula: C15H15N3O3·CHCl3, C16H17N3O4·H2O and C16H17N3O4·2H2O

Online 23 December 2006


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Acta Cryst. (2007). C63, o73-o76  [ doi:10.1107/S0108270106052668 ]

Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-p-terphenyl and 2',5'-bis(bromomethyl)-p-terphenyl

P. G. Jones, A. Zemanek and P. Kus

Formula: C20H18 and C20H16Br2

Online 23 December 2006


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