Acta Crystallographica Section C

Crystal Structure Communications

Volume 66, Part 9 (September 2010)


	Cover illustration: The molecular arrangement in monothioindigo. See Brüning, Heintz, Meents, Bolte & Schmidt [Acta Cryst. (2010), C66, o459-o462].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2010). C66, i85-i86 [ doi:10.1107/S0108270110030556 ]

Redetermination of Na₃TaF₈

V. Langer, L. Smrcok and M. Boca

Synopsis: The title compound crystallizes with the Ta atom surrounded by eight F atoms forming a distorted antiprism. The sodium ions are coordinated by either six or eight F atoms.

Formula: Na₃TaF₈

Online 18 August 2010

Acta Cryst. (2010). C66, i87-i88 [ doi:10.1107/S0108270110033202 ]

Redetermination of iron dialuminide, FeAl₂

I. Chumak, K. W. Richter and H. Ehrenberg

Synopsis: Iron dialuminide crystallizes in the triclinic space group P $\\overline{1}$ with 19 atoms per unit cell, one Fe site being on an inversion centre. The crystal structure can be described as an inclusion-plus-deformation derivative of the orthorhombic YPd₂Si structure type.

Formula: Fe_6.41Al_12.59

Online 28 August 2010

metal-organic compounds

Acta Cryst. (2010). C66, m231-m234 [ doi:10.1107/S0108270110029124 ]

Poly[[aqua(₇-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]

E.-L. Yang, Y.-L. Jiang, Y.-L. Wang and Q.-Y. Liu

Formula: [Cd₂(C₁₀H₁₂N₂O₈)(H₂O)]·H₂O

Online 4 August 2010

Acta Cryst. (2010). C66, m235-m237 [ doi:10.1107/S0108270110025746 ]

Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate

C. Förster, D. Siebler and K. Heinze

Formula: [Fe(C₅H₆N)(C₇H₇O₂)]

Online 18 August 2010

Acta Cryst. (2010). C66, m238-m244 [ doi:10.1107/S0108270110031318 ]

Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations

H. M. Titi, A. Karmakar and I. Goldberg

Formula: 2NH₄⁺·C₁₄H₁₂O₁₀^2-, [La₂(C₁₄H₁₁O₁₀)₂(H₂O)]·H₂O, [Zn(C₁₄H₁₂O₁₀)]·3H₂O and [Zn₂(C₁₄H₁₀O₁₀)(C₁₀H₈N₂)(H₂O)₂]·2H₂O

Online 18 August 2010

Acta Cryst. (2010). C66, m245-m248 [ doi:10.1107/S0108270110032026 ]

Poly[bis(-benzene-1,4-dicarboxylato)bis[-6-(4-pyridyl)-5H-imidazolo[4,5-f][1,10]phenanthroline]dilead(II)]: an interpenetrating -Po net

Z.-L. Xu, X.-Y. Ma, S. Ma and X.-Y. Wang

Formula: [Pb₂(C₈H₄O₄)₂(C₁₈H₁₁N₅)₂]

Online 18 August 2010

Acta Cryst. (2010). C66, m249-m252 [ doi:10.1107/S0108270110030313 ]

A mixed-valence chair-like tetranuclear copper(I,II) cluster with three linking modes of the 3,5-bis(2-pyridyl)-1,2,4-triazole ligand

Q.-G. Zhai, S.-N. Li, Y.-C. Jiang and M.-C. Hu

Formula: [Cu₄(C₁₂H₈N₅)₆]·2H₂O

Online 18 August 2010

Acta Cryst. (2010). C66, m253-m256 [ doi:10.1107/S0108270110032683 ]

[Cr₈(PhCO₂)₁₆O₄]·4CH₃CN·2H₂O: structural origin of magnetic anisotropy in a molecular spin cluster

J. Fielden, A. Ellern and P. Kögerler

Formula: [Cr₈(C₇H₅O₂)₁₆O₄]·4C₂H₃N·2H₂O

Online 20 August 2010

Acta Cryst. (2010). C66, m257-m262 [ doi:10.1107/S0108270110032968 ]

Two cobalt(III) mono-dimethylglyoximates isolated from one reaction

A. Czapik and M. Gdaniec

Formula: [Co₂(C₄H₆N₂O₂)(C₄H₇N₂O₂)(C₁₂H₈N₂)₄](NO₃)₃·2C₂H₆O·1.87H₂O and [Co(C₄H₇N₂O₂)(C₁₂H₈N₂)₂](NO₃)₂·C₂H₆O·0.40H₂O

Online 20 August 2010

Acta Cryst. (2010). C66, m263-m265 [ doi:10.1107/S0108270110031598 ]

Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate

A. J. Churchard, M. K. Cyranski and W. Grochala

Formula: [Ni(H₂O)₆][Ni(SO₄)₂(C₁₀H₂₄N₄)]·2H₂O

Online 24 August 2010

Acta Cryst. (2010). C66, m266-m268 [ doi:10.1107/S0108270110032609 ]

Poly[diaquabis(₃-hexamethylenetetramine)[₂-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H₂O)₁₂ clusters

P. Guo, J. Wang, D. Pan and G.-H. Xu

Formula: [Ag₂(C₈H₁₆N₂O₆S₂)(C₆H₁₂N₄)₂(H₂O)₂]·12H₂O

Online 24 August 2010

Acta Cryst. (2010). C66, m269-m272 [ doi:10.1107/S0108270110034323 ]

A three-dimensional heterometallic Cu^I/V^IV 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids

O. V. Sharga, A. B. Lysenko, H. Krautscheid and K. V. Domasevitch

Formula: [Cu₂V₂F₆O₂(C₆H₈N₆)₂]

Online 28 August 2010

organic compounds

Acta Cryst. (2010). C66, o441-o445 [ doi:10.1107/S0108270110029021 ]

Green chemistry synthesis: 2-amino-3-[(E)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1H-imidazole-4-carboxamide

M. Altaf and H. Stoeckli-Evans

Formula: C₁₀H₇N₅·H₂O and two polymorphs of C₁₆H₁₂N₆O

Online 4 August 2010

Acta Cryst. (2010). C66, o446-o448 [ doi:10.1107/S0108270110025552 ]

Supramolecular interactions in the 2,6-bis(benzimidazol-2-yl)pyridine-terephthalic acid-water (2/1/4) cocrystal

H. Xiao, G. Wang and F. Jian

Formula: 2C₁₉H₁₃N₅·C₈H₆O₄·4H₂O

Online 4 August 2010

Acta Cryst. (2010). C66, o449-o454 [ doi:10.1107/S0108270110029008 ]

Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate

R. Kruszynski and A. Trzesowska-Kruszynska

Formula: C₇H₆ClN₂O⁺·NO₃^- and C₇H₆ClN₂O⁺·ClO₄^-

Online 4 August 2010

Acta Cryst. (2010). C66, o455-o458 [ doi:10.1107/S0108270110029252 ]

Dimeric supramolecular motifs of two carboxylate-guanidinium compounds

M. I. Ashiq, I. Hussain, S. Dixon, M. E. Light and J. D. Kilburn

Formula: C₂₃H₂₃N₅O₃ and C₂₆H₂₈N₆O₄·H₂O

Online 4 August 2010

Acta Cryst. (2010). C66, o459-o462 [ doi:10.1107/S0108270110027800 ]

Monothioindigo, determined by microcrystal structure analysis

J. Brüning, D. Heintz, A. Meents, M. Bolte and M. U. Schmidt

Formula: C₁₆H₉NO₂S

Online 4 August 2010

Acta Cryst. (2010). C66, o463-o465 [ doi:10.1107/S0108270110028544 ]

A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones

I. M. R. Landre, T. E. Souza, R. S. Corrêa, F. T. Martins and A. C. Doriguetto

Formula: C₁₃H₁₀O₃·H₂O

Online 4 August 2010

Acta Cryst. (2010). C66, o466-o468 [ doi:10.1107/S0108270110027678 ]

S-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate

I. Brito, J. Albanez, M. Bolte and A. Cárdenas

Formula: C₁₂H₈N₂O₆S₂

Online 11 August 2010

Acta Cryst. (2010). C66, o469-o472 [ doi:10.1107/S010827011003115X ]

10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-2-iminium chloride sesquihydrate: a polarized electronic structure within a complex hydrogen-bonded sheet structure

J. Trilleras, L. G. López, J. Cobo and C. Glidewell

Formula: C₁₈H₁₅N₄O⁺·Cl^-·1.5H₂O

Online 11 August 2010

Acta Cryst. (2010). C66, o473-o474 [ doi:10.1107/S0108270110031781 ]

A tetrahydropentaleno[1,6a-a]naphthalen-4(2H)-one of defined relative stereochemistry for use towards Agariblazeispirol C

A. R. Kennedy, W. J. Kerr, L. C. Paterson and A. Sutherland

Formula: C₂₀H₂₄O₂

Online 18 August 2010

Acta Cryst. (2010). C66, o475-o478 [ doi:10.1107/S0108270110031124 ]

2,2,2-Trifluoro-N-(1a,2,7,7a-tetrahydronaphtho[2,3-b]oxiren-3-yl)acetamide by X-ray powder diffraction

M. Rukiah and T. Assaad

Formula: C₁₂H₁₀F₃NO₂

Online 18 August 2010

Acta Cryst. (2010). C66, o479-o483 [ doi:10.1107/S0108270110032014 ]

Powder X-ray studies of meso-hexamethyl propylene amine oxime (meso-HMPAO) in two different phases

M. Al-Ktaifani and M. Rukiah

Formula: Two forms of C₁₃H₂₈N₄O₂

Online 21 August 2010

Acta Cryst. (2010). C66, o484-o487 [ doi:10.1107/S0108270110029471 ]

Methyl -D-galactopyranosyl-(14)--D-allopyranoside tetrahydrate

W. Zhang, A. G. Oliver and A. S. Serianni

Formula: C₁₃H₂₄O₁₁·4H₂O

Online 21 August 2010

Acta Cryst. (2010). C66, o488-o492 [ doi:10.1107/S010827011003297X ]

1,3,4-Triphenyl-7-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline at 293 and 100 K

P. Szlachcic, B. Jarosz and K. Stadnicka

Formula: C₂₉H₁₈F₃N₃ at 293 and 100 K

Online 25 August 2010

Acta Crystallographica Section C

Crystal Structure Communications

Volume 66, Part 9 (September 2010)

inorganic compounds

Redetermination of Na3TaF8

V. Langer, L. Smrcok and M. Boca

Redetermination of iron dialuminide, FeAl2

I. Chumak, K. W. Richter and H. Ehrenberg

metal-organic compounds

Poly[[aqua(7-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]

E.-L. Yang, Y.-L. Jiang, Y.-L. Wang and Q.-Y. Liu

Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate

C. Förster, D. Siebler and K. Heinze

Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations

H. M. Titi, A. Karmakar and I. Goldberg

Poly[bis(-benzene-1,4-dicarboxylato)bis[-6-(4-pyridyl)-5H-imidazolo[4,5-f][1,10]phenanthroline]dilead(II)]: an interpenetrating -Po net

Z.-L. Xu, X.-Y. Ma, S. Ma and X.-Y. Wang

A mixed-valence chair-like tetranuclear copper(I,II) cluster with three linking modes of the 3,5-bis(2-pyridyl)-1,2,4-triazole ligand

Q.-G. Zhai, S.-N. Li, Y.-C. Jiang and M.-C. Hu

[Cr8(PhCO2)16O4]·4CH3CN·2H2O: structural origin of magnetic anisotropy in a molecular spin cluster

J. Fielden, A. Ellern and P. Kögerler

Two cobalt(III) mono-dimethylglyoximates isolated from one reaction

A. Czapik and M. Gdaniec

Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate

A. J. Churchard, M. K. Cyranski and W. Grochala

Poly[diaquabis(3-hexamethylenetetramine)[2-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H2O)12 clusters

P. Guo, J. Wang, D. Pan and G.-H. Xu

A three-dimensional heterometallic CuI/VIV 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids

O. V. Sharga, A. B. Lysenko, H. Krautscheid and K. V. Domasevitch

organic compounds

Green chemistry synthesis: 2-amino-3-[(E)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1H-imidazole-4-carboxamide

M. Altaf and H. Stoeckli-Evans

Supramolecular interactions in the 2,6-bis(benzimidazol-2-yl)pyridine-terephthalic acid-water (2/1/4) cocrystal

H. Xiao, G. Wang and F. Jian

Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate

R. Kruszynski and A. Trzesowska-Kruszynska

Dimeric supramolecular motifs of two carboxylate-guanidinium compounds

M. I. Ashiq, I. Hussain, S. Dixon, M. E. Light and J. D. Kilburn

Monothioindigo, determined by microcrystal structure analysis

J. Brüning, D. Heintz, A. Meents, M. Bolte and M. U. Schmidt

A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones

I. M. R. Landre, T. E. Souza, R. S. Corrêa, F. T. Martins and A. C. Doriguetto

S-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate

I. Brito, J. Albanez, M. Bolte and A. Cárdenas

10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-2-iminium chloride sesquihydrate: a polarized electronic structure within a complex hydrogen-bonded sheet structure

J. Trilleras, L. G. López, J. Cobo and C. Glidewell

A tetrahydropentaleno[1,6a-a]naphthalen-4(2H)-one of defined relative stereochemistry for use towards Agariblazeispirol C

A. R. Kennedy, W. J. Kerr, L. C. Paterson and A. Sutherland

2,2,2-Trifluoro-N-(1a,2,7,7a-tetrahydronaphtho[2,3-b]oxiren-3-yl)acetamide by X-ray powder diffraction

M. Rukiah and T. Assaad

Powder X-ray studies of meso-hexamethyl propylene amine oxime (meso-HMPAO) in two different phases

M. Al-Ktaifani and M. Rukiah

Methyl -D-galactopyranosyl-(14)--D-allopyranoside tetrahydrate

W. Zhang, A. G. Oliver and A. S. Serianni

1,3,4-Triphenyl-7-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline at 293 and 100 K

P. Szlachcic, B. Jarosz and K. Stadnicka

Redetermination of Na₃TaF₈

Redetermination of iron dialuminide, FeAl₂

Poly[[aqua(₇-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]

[Cr₈(PhCO₂)₁₆O₄]·4CH₃CN·2H₂O: structural origin of magnetic anisotropy in a molecular spin cluster

Poly[diaquabis(₃-hexamethylenetetramine)[₂-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H₂O)₁₂ clusters

A three-dimensional heterometallic Cu^I/V^IV 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids