Acta Crystallographica Section C

Crystal Structure Communications

Volume 66, Part 3 (March 2010)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The proposed mechanism for the transformation of p-phenylenediamine dihydrate into p-phenylenediamine. One set of arrows show the direction of rotation of the C molecules, and the other set indicates pairs of water molecules replaced by the amino groups of the B molecules. See Czapik, Konowalska & Gdaniec [Acta Cryst. (2010), C66, o128-o132].

inorganic compounds


 

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Acta Cryst. (2010). C66, i19-i21  [ doi:10.1107/S0108270110000247 ]

La2Pb(SiS4)2

L. D. Gulay, M. Daszkiewicz, I. P. Ruda and O. V. Marchuk

Synopsis: The title structure is occupationally disordered on the La and Pb sites. A large gap was found around the coordination polyhedra, which makes the compound a prospective material in crystal engineering.

Formula: La2Pb(SiS4)2

Online 3 February 2010


 

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Acta Cryst. (2010). C66, i22-i24  [ doi:10.1107/S0108270110001393 ]

Ba5Cl4(H2O)8(VPO5)8: a novel three-dimensional framework solid

A.-Y. Zhang, J. Zheng and Q.-F. Wang

Synopsis: The structure of Ba5Cl4(H2O)8(PVO5)8 consists of alternating anionic oxovanadium phosphate (VPO5) and cationic barium chloride hydrate, Ba5Cl4(H2O)8, layers. These layers are linked through Ba-O bonds, generating a three-dimensional framework.

Formula: Ba5Cl4(H2O)8(VPO5)8

Online 3 February 2010


 

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Acta Cryst. (2010). C66, i25-i28  [ doi:10.1107/S0108270110002556 ]

The new ternary phases of La3(Zn0.874Mg0.126)11 and Ce3(Zn0.863Mg0.137)11

V. Pavlyuk, E. Rozycka-Sokolowska and B. Marciniak

Synopsis: The La3(Zn0.874Mg0.126)11 and Ce3(Zn0.863Mg0.137)11 intermetallic compounds are isostructural and crystallize in the orthorhombic La3Al11 structure type. Compared to the structure of La3Al11, in La3(Zn0.874Mg0.126)11, a significant decrease of 11.9% in the unit-cell b axis and and an increase in the other two directions, of 3.6% along a and 5.2% along c, are observed. Such an atypical deformation is caused by the closer packing of atoms in the unit cell due to atom shifts that reflect strengthening of metallic-type bonding.

Formula: La3(Zn0.874Mg0.126)11 and Ce3(Zn0.863Mg0.137)11

Online 3 February 2010


 

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Acta Cryst. (2010). C66, i29-i32  [ doi:10.1107/S0108270110002842 ]

Ba2Gd2(Si4O13): a silicate with finite Si4O13 chains

M. Wierzbicka-Wieczorek, U. Kolitsch and E. Tillmanns

Synopsis: Ba2Gd2(Si4O13) contains finite Si4O13 chains and Gd2O12 dimers. It is a representative of a rare class of silicates containing Si4O13 chains.

Formula: Ba2Gd2(Si4O13)

Online 3 February 2010


 

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Acta Cryst. (2010). C66, i33-i36  [ doi:10.1107/S0108270110001344 ]

The solid solution (Fe0.81Al0.19)(H2PO4)3 with a strong hydrogen bond

N. Belfguira, S. Walha, A. Ben Salah, A. M. Fransolet and A. Kabadou

Synopsis: A sample of synthetic (Fe0.81Al0.19)(H2PO4)3 was prepared by hydrothermal methods in order to determine the crystal structure. The compound is a new monoclinic variety ([gamma]-form) and the structure is based on a two-dimensional framework of distorted corner-sharing MO6 (M = Fe, Al) polyhedra sharing corners with PO4 tetrahedra.

Formula: (Fe0.81Al0.19)(H2PO4)3

Online 3 February 2010


 

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Acta Cryst. (2010). C66, i37-i38  [ doi:10.1107/S0108270110005652 ]

Crystal structure and stability of Tl2CO3 at high pressures

A. Grzechnik and K. Friese

Synopsis: The crystal structure of dithallium carbonate, Tl2CO3 (C2/m, Z = 4), is stable to 5.82 GPa and does not undergo any phase transitions at lower pressures as reported previously. At higher pressures, the material undergoes a phase transition that destroys the single crystal.

Formula: Tl2CO3

Online 24 February 2010


metal-organic compounds


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Acta Cryst. (2010). C66, m55-m57  [ doi:10.1107/S0108270110001861 ]

Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)

I. A. Guzei, I. Arachchige and S. A. Ivanov

Formula: Two polymorphs of [AuCl(C18H21P)]

Online 3 February 2010


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Acta Cryst. (2010). C66, m58-m61  [ doi:10.1107/S0108270110003033 ]

Tetrakis([mu]2-4-aminobenzoato)di-[mu]3-oxido-tetrakis[dibutyltin(IV)]

A. Linden, T. S. Basu Baul and P. Das

Formula: [Sn4(C4H9)8(C7H6NO2)4O2]

Online 3 February 2010


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Acta Cryst. (2010). C66, m62-m64  [ doi:10.1107/S0108270110002751 ]

Mono- and bis-tolylterpyridine iridium(III) complexes

L. M. Hinkle, V. G. Young and K. R. Mann

Formula: [IrCl3(C22H17N3)]·C2H6OS and [Ir(C22H17N3)2](PF6)3·2C2H3N

Online 3 February 2010


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Acta Cryst. (2010). C66, m65-m68  [ doi:10.1107/S0108270110002738 ]

A synchrotron radiation study of the one-dimensional complex of sodium with (1S)-N-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol, a member of the 'immucillin' family

G. J. Gainsford, R. H. Furneaux, P. C. Tyler, A. Sauve and V. L. Shramm

Formula: [Na2(C12H13N4O6)2(H2O)7]·4H2O

Online 3 February 2010


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Acta Cryst. (2010). C66, m69-m74  [ doi:10.1107/S0108270109053839 ]

Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)

A. Lennartson and M. Håkansson

Formula: (C5H6N)2[U(C4H4O5)2O2], (C8H8N)2[U(C4H4O5)2O2], (C8H8N)2[U(C4H4O5)2O2] and (C8H8N)2[U(C4H4O5)2O2]

Online 3 February 2010


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Acta Cryst. (2010). C66, m75-m78  [ doi:10.1107/S010827011000377X ]

Ammine(2,2'-bipyridine-[kappa]2N,N')silver(I) nitrate: a dimer formed by [pi]-[pi] stacking and ligand-unsupported Ag...Ag interactions

D. Sun, N. Zhang, G.-G. Luo, R.-B. Huang and L.-S. Zheng

Formula: [Ag(C10H8N2)(NH3)]NO3

Online 3 February 2010


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Acta Cryst. (2010). C66, m79-m82  [ doi:10.1107/S0108270110004506 ]

2-(Diphenylphosphinoylmethyl)pyrrole-2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2H-pyrrole-[kappa]2N,P)titanium(IV)

L. M. Broomfield, M. Bochmann and J. A. Wright

Formula: 0.43C17H16NOP·0.57C17H16NP and [TiCl4(C17H16NP)]

Online 24 February 2010


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Acta Cryst. (2010). C66, m83-m85  [ doi:10.1107/S0108270110006311 ]

A copper-polyol complex: [Na2(C2H6O2)6][Cu(C2H4O2)2]

J. H. Rivers, K. J. Carroll, R. A. Jones and E. E. Carpenter

Formula: [Na2(C2H6O2)6][Cu(C2H4O2)2]

Online 24 February 2010


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Acta Cryst. (2010). C66, m86-m88  [ doi:10.1107/S0108270110004531 ]

The ansa-zirconocene [bis([eta]5-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV)

S. Büschel, C. Daniliuc, P. G. Jones and M. Tamm

Formula: [Zr(C16H13P)Cl2]

Online 24 February 2010


organic compounds


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Acta Cryst. (2010). C66, o101-o103  [ doi:10.1107/S0108270110000181 ]

2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5H)-one N,N-dimethylformamide monosolvate

L. M. Tvedte, K. L. Smith, E. V. Patterson and R. G. Baughman

Formula: C13H15N3O3·C3H7NO

Online 3 February 2010


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Acta Cryst. (2010). C66, o104-o108  [ doi:10.1107/S0108270110002337 ]

Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate

K. Thanigaimani and P. T. Muthiah

Formula: C12H14ClN4+·C8H7O2-, C12H14ClN4+·C6H4NO3- and C12H14ClN4+·C7H3Cl2O2-

Online 3 February 2010


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Acta Cryst. (2010). C66, o109-o113  [ doi:10.1107/S0108270110001940 ]

Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts

P. Balamurugan, R. Jagan and K. Sivakumar

Formula: Two isomers of C6H7ClN+·H2PO4-

Online 3 February 2010


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Acta Cryst. (2010). C66, o114-o118  [ doi:10.1107/S010827011000363X ]

Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120 K

K. Gotoh, T. Asaji and H. Ishida

Formula: C4H5N2+·C6HCl2O4-·H2O at 225 and 120 K

Online 3 February 2010


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Acta Cryst. (2010). C66, o119-o123  [ doi:10.1107/S0108270110003094 ]

Two pentadehydropeptides with different configurations of the [Delta]Phe residues

M. Makowski, M. Lisowski, A. Maciag, M. Wiktor, A. Szlachcic and T. Lis

Formula: C29H33N5O8·CH4O and C29H33N5O8

Online 3 February 2010


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Acta Cryst. (2010). C66, o124-o127  [ doi:10.1107/S0108270110003641 ]

Peracetylated [alpha]-D-glucopyranosyl fluoride and peracetylated [alpha]-maltosyl fluoride

S. Dedola, D. L. Hughes and R. A. Field

Formula: C14H19FO9 and C26H35FO17

Online 3 February 2010


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Acta Cryst. (2010). C66, o128-o132  [ doi:10.1107/S010827011000541X ]

p-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N-H...N and N-H...[pi] interactions

A. Czapik, H. Konowalska and M. Gdaniec

Formula: C6H8N2·2H2O and C6H8N2

Online 24 February 2010


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Acta Cryst. (2010). C66, o133-o136  [ doi:10.1107/S0108270110003549 ]

7-Amino-5-methyl-2-phenyl-6-(phenyldiazenyl)pyrazolo[1,5-a]pyrimidine crystallizes with Z' = 2: pseudosymmetry and the formation of complex sheets built from N-H...N and C-H...[pi](arene) hydrogen bonds

J. Portilla, D. Estupiñan, J. Cobo and C. Glidewell

Formula: C19H16N6

Online 24 February 2010


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Acta Cryst. (2010). C66, o137-o140  [ doi:10.1107/S0108270110004026 ]

(E)-N-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl]methylene}benzene-1,2-diamine: a three-dimensional framework structure built from only two hydrogen bonds

Y. Díaz, J. Quiroga, J. Cobo and C. Glidewell

Formula: C26H19Cl2N5

Online 24 February 2010


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Acta Cryst. (2010). C66, o141-o146  [ doi:10.1107/S0108270110005032 ]

Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates

H. Insuasty, E. Castro, E. Sánchez, J. Cobo and C. Glidewell

Formula: C10H11NO2S, C11H13NO2S, C13H17NO2S and C12H14ClNO2S

Online 24 February 2010


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Acta Cryst. (2010). C66, o147-o150  [ doi:10.1107/S0108270110004233 ]

Strong asymmetric hydrogen bonding in 2-(oxamoylamino)ethylammonium oxamate-oxamic acid (1/1)

M. Martinez Belmonte and D. J. Price

Formula: C4H10N3O2+·C2H2NO3-·C2H3NO3

Online 24 February 2010


addenda and errata


 

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Acta Cryst. (2010). C66, e9  [ doi:10.1107/S0108270109054286 ]

Strontium tetrafluoroborate. Erratum

E. Goreshnik, A. Vakulka and B. Zemva

Synopsis: Erratum to Acta Cryst. (2007), C63, i75-i76.

Formula: Sr(BF4)2

Online 27 February 2010


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