Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 5 (May 2005)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: A simulated precession photo of the h0l plane showing the twin relationship in reciprocal space as a twofold rotation about a*. The radii of the circles indicate the intensities of the reflections. The main twin domain is drawn in open circles; the minor twin domain, with a twin fraction of 0.319 (2), is drawn in filled circles. The approximate primitive subcell in reciprocal space, covering both twin domains, is obtained by halving a*. See Lutz, Spek, van der Wiel & van Walree [Acta Cryst. (2005), C61, o300-o302].

inorganic compounds


 

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Acta Cryst. (2005). C61, i41-i43  [ doi:10.1107/S0108270105007493 ]

Ag3.5Bi7.5S13, a new member (N = 8) of the homologous series [Bi2S3]2·[AgBiS2](N-1)/2

P. F. Poudeu Poudeu and M. Ruck

Synopsis: Silver bismuth sulfide (3.5/7.5/13), Ag3.5Bi7.5S13, is the member with N = 8 of the homologous series [Bi2S3]2·[AgBiS2](N-1)/2. All octahedral metal positions in its structure show mixed occupancy between Ag and Bi.

Formula: Ag3.5Bi7.5S13

Online 23 April 2005


 

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Acta Cryst. (2005). C61, i44-i46  [ doi:10.1107/S0108270105006888 ]

RbGa3(P3O10)2: a new gallium phosphate isotypic with RbAl3(P3O10)2

J. Lesage, A. Guesdon and B. Raveau

Synopsis: The first rubidium gallium triphosphate has been synthesized by solid-state reaction and studied by single-crystal X-ray diffraction. It crystallizes in the non-centrosymmetric orthorhombic space group C2221, forming infinite [GaP6O20][infinity] columns of PO4 and GaO4 corner-sharing tetrahedra along c, linked through the apices with GaO6 octahedra.

Formula: RbGa3(P3O10)2

Online 23 April 2005


 

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Acta Cryst. (2005). C61, i47-i48  [ doi:10.1107/S010827010500867X ]

The twofold superstructure of titanium(III) oxybromide at T = 17.5 K

L. Palatinus, A. Schönleber and S. van Smaalen

Synopsis: TiOBr at 17.5 K has a twofold superstructure of the crystal structure at room temperature, which indicates that TiOBr is in a spin-Peierls state at low temperatures.

Formula: TiOBr

Online 23 April 2005


 

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Acta Cryst. (2005). C61, i49-i50  [ doi:10.1107/S010827010500925X ]

Barium chlorite hydrate, Ba(ClO2)2·3.5H2O

A. I. Smolentsev and D. Y. Naumov

Synopsis: The crystal structure of Ba(ClO2)2·3.5H2O has been determined by single-crystal X-ray analysis at 150 K. The structure is layered and contains Ba2+ cations surrounded by O atoms in a bicapped square antiprismatic coordination environment.

Formula: Ba(ClO2)2·3.5H2O

Online 30 April 2005


 

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Acta Cryst. (2005). C61, i51-i53  [ doi:10.1107/S0108270105007171 ]

Two cubic polymorphs of AlGeLi

M. Tillard, C. Belin, L. Spina and Y. Z. Jia

Synopsis: Lithium aluminium germanium, AlGeLi, crystallizes in two cubic dimorphs. The structure of the F\overline{4}3m form has been confirmed by both powder and single-crystal X-ray diffraction studies. The second dimorph, not previously identified, adopts a disordered centrosymmetric structure with space group Fm\overline{3}m.

Formula: AlGeLi

Online 30 April 2005


 

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Acta Cryst. (2005). C61, i54-i56  [ doi:10.1107/S0108270105009819 ]

A new strontium borophosphate, Sr6BP5O20, from synchrotron powder data

N. Shin, J. Kim, D. Ahn and K.-S. Sohn

Synopsis: Rietveld refinement of a new strontium borophosphate shows that a BO4 tetrahedron, of symmetry \overline 4, is surrounded by an array of four [PO4]3- tetrahedra. Sr atoms occupy sites coordinated by eight or nine O atoms.

Formula: Sr6BP5O20

Online 30 April 2005


 

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Acta Cryst. (2005). C61, i57-i58  [ doi:10.1107/S0108270105009856 ]

Li(MoO2)2O(AsO4)

M. Hajji, M. F. Zid and T. Jouini

Synopsis: The structure of lithium dioxomolybdenum arsenate oxide, Li(MoO2)2O(AsO4), consists of corner-shared Mo2AsO12 structural units which form layers. The Mo2AsO12 units result from the association of corner-shared AsO4 tetrahedra and Mo2O9 groups. The Li+ ions are located in the interlayer space.

Formula: Li(MoO2)2(AsO4)O

Online 30 avril 2005


metal-organic compounds


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Acta Cryst. (2005). C61, m215-m217  [ doi:10.1107/S0108270105007250 ]

Hexaaquanickel(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate

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

Formula: [Ni(H2O)6](C17H13O7S)2·8H2O

Online 2 April 2005


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Acta Cryst. (2005). C61, m218-m220  [ doi:10.1107/S0108270105008164 ]

catena-Poly[[[diaquabis(pyridine-4-carboxamide-[kappa]N)copper(II)]-[mu]2-squarato-[kappa]O1:O3] dihydrate]

I. Uçar, A. Bulut and O. Büyükgüngör

Formula: [Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O

Online 2 April 2005


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Acta Cryst. (2005). C61, m221-m223  [ doi:10.1107/S0108270105007791 ]

Bis(1,3-diphenylpropane-1,3-dionato-[kappa]2O,O'){hydrotris[3-(2-pyridyl)pyrazol-1-yl]borato}praseodymium(III): another member of an unpredictable series

G. M. Davies, H. Adams and M. D. Ward

Formula: [Pr(C24H19BN9)(C15H11O4)2]

Online 2 April 2005


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Acta Cryst. (2005). C61, m224-m227  [ doi:10.1107/S0108270105008474 ]

catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]hexaaquabarium]-[mu]-N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]: coordination polymer chains linked into a three-dimensional framework by N-H...O and O-H...O hydrogen bonds

R. López Garzón, M. D. López León, J. N. Low and C. Glidewell

Formula: [Ba(C10H12N5O6)2(H2O)6]

Online 23 April 2005


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Acta Cryst. (2005). C61, m228-m230  [ doi:10.1107/S0108270105008188 ]

Bis(acesulfamato-[kappa]2N3,O4)bis(2-aminopyrimidine-[kappa]N1)copper(II)

A. Bulut, H. Içbudak, G. Sezer and C. Kazak

Formula: [Cu(C4H4NO4S)2(C4H5N3)2]

Online 23 April 2005


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Acta Cryst. (2005). C61, m231-m233  [ doi:10.1107/S0108270105008693 ]

Two square-pyramidal chromium(V)-nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine N-oxide)chromium(V)

T. Birk, H. O. Sørensen and J. Bendix

Formula: [Cr(C10H8NO)2(N)] and [Cr(C5H4NOS)2(N)]

Online 23 April 2005


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Acta Cryst. (2005). C61, m234-m236  [ doi:10.1107/S0108270105009121 ]

Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND4)2[Cu(D2O)6](SO4)2 at 20 K

A. J. Schultz, J. A. Cowan, M. A. Hitchman and H. Stratemeier

Formula: (ND4)2[Cu(D2O)6](SO4)2

Online 23 April 2005


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Acta Cryst. (2005). C61, m237-m239  [ doi:10.1107/S010827010500435X ]

catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-[mu]-oxalato] tetrahydrate]

J. Ferjani, M. Graia and T. Jouini

Formula: [Cu(C2O4)(C6H16N2)]·4H2O

Online 23 avril 2005


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Acta Cryst. (2005). C61, m240-m244  [ doi:10.1107/S0108270105009273 ]

Two Cd and Hg peroxodisulfate complexes with aromatic amines

M. E. Díaz de Vivar, M. A. Harvey, M. T. Garland, S. Baggio and R. Baggio

Formula: [Cd2(C2H3O2)2(S2O8)(C15H11N3)2(H2O)2]·7H2O and [Hg(C10H8N2)2(S2O8)]·0.4H2O

Online 30 April 2005


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Acta Cryst. (2005). C61, m245-m249  [ doi:10.1107/S0108270105009261 ]

Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines

P. V. Bernhardt and N. L. Kilah

Formula: Na[Co(CN)(C13H30N6)](ClO4)3 and [Co(CN)2(C14H32N6)][Co(CN)2(C14H30N6)](ClO4)4·4H2O

Online 30 April 2005


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Acta Cryst. (2005). C61, m250-m252  [ doi:10.1107/S010827010500987X ]

catena-Poly[copper(II)-[mu]-L-tyrosyl-L-leucinato]

R. Baggio, N. M. C. Casado, R. Calvo, R. E. Rapp and M. T. Garland

Formula: [Cu(C15H20N2O4)]

Online 30 April 2005


organic compounds


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Acta Cryst. (2005). C61, o267-o269  [ doi:10.1107/S0108270105006542 ]

Imino Diels-Alder adducts. II. Two pyrano[3,2-c]quinolines

K. Ravikumar, B. Sridhar, M. Mahesh and V. V. Narayana Reddy

Formula: C18H17ClFNO

Online 2 April 2005


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Acta Cryst. (2005). C61, o270-o275  [ doi:10.1107/S0108270105007547 ]

2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-N-phenylacetamide and 2-(2-acetylaminophenyl)-N-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change

N. Boechat, L. C. Maciel, A. C. Pinto, S. M. S. V. Wardell, J. M. S. Skakle and R. A. Howie

Formula: C10H8ClF2NO3, C11H11F2NO3, C16H14F2N2O2 and C16H13ClF2N2O2

Online 2 April 2005


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Acta Cryst. (2005). C61, o276-o280  [ doi:10.1107/S0108270105007286 ]

Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-X-C6H4NH3+·C8H4NO6- (X = H, Cl, Br and I)

C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

Formula: C6H8N+·C8H4NO6-, C6H7ClN+·C8H4NO6-, C6H7BrN+·C8H4NO6- and C6H7IN+·C8H4NO6-

Online 2 April 2005


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Acta Cryst. (2005). C61, o281-o283  [ doi:10.1107/S0108270105007821 ]

Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H-pyrazole-4-carboxylate

C. Wu, Y.-Q. Zhu, H.-B. Li, J.-R. Li, X.-L. Ren, B. Li and H.-Z. Yang

Formula: C13H18N6O2 and C18H19N7O6S

Online 2 April 2005


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Acta Cryst. (2005). C61, o284-o287  [ doi:10.1107/S0108270105007778 ]

(E,E)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene

C. M. L. Vande Velde, J. K. Baeke, H. J. Geise and F. Blockhuys

Formula: C34H42O8

Online 2 April 2005


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Acta Cryst. (2005). C61, o288-o290  [ doi:10.1107/S0108270105008176 ]

Polymorphism of (Z)-4-bromo-N-(pent-2-enyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide

J. W. Bats, P. Haufe and A. S. K. Hashmi

Formula: Two polymorphs of C20H20BrNO2S

Online 2 April 2005


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Acta Cryst. (2005). C61, o291-o293  [ doi:10.1107/S0108270105006293 ]

A main-group donor-acceptor adduct: 1,3,4,5-tetramethylimidazol-2-ylidene-tris(pentafluorophenyl)borane

A. D. Phillips and P. P. Power

Formula: C25H12BF15N2

Online 23 April 2005


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Acta Cryst. (2005). C61, o294-o296  [ doi:10.1107/S0108270105007675 ]

2-[Bis(pyrazol-1-yl)methyl]-4-tert-butyl-6-(phenylsulfanyl)phenol

I. Sylvestre, C. A. Kilner and M. A. Halcrow

Formula: C23H24N4OS

Online 23 April 2005


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Acta Cryst. (2005). C61, o297-o299  [ doi:10.1107/S0108270105008486 ]

5-Butyl-5-ethylbarbituric acid: a phase transition at low temperature

G. S. Nichol and W. Clegg

Formula: C10H16N2O3

Online 23 April 2005


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Acta Cryst. (2005). C61, o300-o302  [ doi:10.1107/S0108270105008978 ]

Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene

M. Lutz, A. L. Spek, B. C. van der Wiel and C. A. van Walree

Formula: C16H14

Online 23 April 2005


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Acta Cryst. (2005). C61, o303-o305  [ doi:10.1107/S0108270105004373 ]

1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene

N. Karadayi, S. Çakmak, M. Odabasoglu and O. Büyükgüngör

Formula: C14H15N3, C12H9ClFN3 and C13H12FN3

Online 23 April 2005


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Acta Cryst. (2005). C61, o306-o311  [ doi:10.1107/S0108270105008498 ]

Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings

M. C. Rezende, M. Dominguez, J. L. Wardell, J. M. S. Skakle, J. N. Low and C. Glidewell

Formula: C13H12N2O3, C14H14N2O4, C14H14N2O4, C15H17N3O3 and C21H28N2O4

Online 23 April 2005


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Acta Cryst. (2005). C61, o312-o316  [ doi:10.1107/S0108270105009248 ]

Supramolecular structures of three isomeric (E,E)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location

C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

Formula: Three isomers of C14H10IN3O2

Online 23 April 2005


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Acta Cryst. (2005). C61, o317-o320  [ doi:10.1107/S010827010500911X ]

The [alpha]2-polymorph of salicylideneaniline

F. Arod, M. Gardon, P. Pattison and G. Chapuis

Formula: C13H11NO

Online 23 April 2005


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Acta Cryst. (2005). C61, o321-o323  [ doi:10.1107/S0108270105007183 ]

(2-Hydroxyethyl)hydrazinium(2+) dichloride

G. Turgut, M. Zora, M. Odabasoglu, C. C. Ersanli and O. Büyükgüngör

Formula: C2H10N2O2+·2Cl-

Online 23 April 2005


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Acta Cryst. (2005). C61, o324-o327  [ doi:10.1107/S0108270105008206 ]

4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide

C. Tamuly, R. S. Sarma, A. S. Batsanov, A. E. Goeta and J. B. Baruah

Formula: C22H24NO2+·Cl- and C22H24NO2+·Br-

Online 30 April 2005


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Acta Cryst. (2005). C61, o328-o331  [ doi:10.1107/S0108270105009479 ]

A new polymorph and two inclusion compounds of 9,9'-spirobifluorene

R. E. Douthwaite, A. Taylor and A. C. Whitwood

Formula: C25H16·C6H6, C25H16·C12H10 and C25H16

Online 30 April 2005


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Acta Cryst. (2005). C61, o332-o335  [ doi:10.1107/S0108270105008528 ]

3,3a-Dihydrocyclopenta[b]chromen-1(2H)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one

F.-J. Huo, C.-X. Yin, X.-L. Jin and P. Yang

Formula: C12H10O2 and C19H14O3

Online 30 April 2005


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Acta Cryst. (2005). C61, o336-o338  [ doi:10.1107/S0108270105010085 ]

Hydrogen bonding in C-substituted nitroanilines: simple C(8) chains in 2-bromo-6-chloro-4-nitroaniline

C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

Formula: C6H4Br0.90Cl1.10N2O2

Online 30 April 2005


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Acta Cryst. (2005). C61, o339-o342  [ doi:10.1107/S0108270105010267 ]

Supramolecular aggregation of two hydroxycarboxylic acid derivatives

C. Foces-Foces, M. L. Rodríguez, M. Febles, C. Pérez and J. D. Martín

Formula: C17H26O4 and C13H20O4

Online 30 April 2005


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Acta Cryst. (2005). C61, o343-o344  [ doi:10.1107/S0108270105009868 ]

N1-(4-Bromophenyl)-N2-hydroxy-2-oxo-2-phenylacetamidine

S. Soylu, M. Tas, H. Bati and N. Çaliskan

Formula: C14H11BrN2O2

Online 30 April 2005


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