Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 10 (October 2009)


	Cover illustration: The molecular structure of nonactin, with displacement ellipsoids shown at the 80% probability level and all H atoms omitted. See Guzei, Wang, Zhan, Dolomanov & Cheng [Acta Cryst. (2009), C65, o512-o514].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2009). C65, i63-i65 [ doi:10.1107/S0108270109030601 ]

Bi₄Ge₃O₁₂ at the onset of pressure-induced amorphization

Synopsis: The structure of Bi₄Ge₃O₁₂ (I $\\overline{4}$ 3d, Z = 4) was investigated at 7.30 GPa, close to the onset of amorphization, using single-crystal X-ray diffraction in a diamond anvil cell at room temperature. No pressure-induced phase transition was observed up to this pressure.

Formula: Bi₄Ge₃O₁₂

Online 26 September 2009

Acta Cryst. (2009). C65, i66-i68 [ doi:10.1107/S0108270109038542 ]

EuI₂, a low-temperature europium(II) iodide phase

M. Krings, M. Wessel and R. Dronskowski

Synopsis: The title compound, europium(II) iodide, is a new low-temperature phase crystallizing in the space group Pnma. Density-functional calculations on the various EuI₂ phases and temperature-dependent X-ray analysis corroborate each other. All phases are built up by EuI₇ polyhedra, but they differ in their packings.

Formula: EuI₂

Online 30 September 2009

Acta Cryst. (2009). C65, i69-i73 [ doi:10.1107/S0108270109035987 ]

Flux growth and structure of two compounds with the EuIn₂P₂ structure type, AIn₂P₂ (A = Ca and Sr), and a new structure type, BaIn₂P₂

J. F. Rauscher, C. L. Condron, T. Beault, S. M. Kauzlarich, N. Jensen, P. Klavins, S. MaQuilon, Z. Fisk and M. M. Olmstead

Synopsis: The structures of AIn₂P₂ (A = Ca, Sr and Ba) are reported and compared. CaIn₂P₂ and SrIn₂P₂ are isostructural with a known compound, EuIn₂P₂, and BaIn₂P₂ is a new structure type.

Formula: CaIn₂P₂, SrIn₂P₂ and BaIn₂P₂

Online 30 September 2009

Acta Cryst. (2009). C65, i74-i76 [ doi:10.1107/S0108270109028856 ]

Disordered structure of ZrW_1.8V_0.2O_7.9 from a combined X-ray and neutron powder diffraction study at 530 K

X. Chen, J. Tao, H. Ma and X. Zhao

Synopsis: Rietveld refinement of the novel vanadium aliovalent substituted zirconium tungstate ZrW_1.8V_0.2O_7.9, using combined X-ray and neutron diffraction data, shows that its average structure is similar to that of [beta] -ZrW₂O₈, with substitution occurring only at one of the W sites.

Formula: ZrW_1.8V_0.2O_7.9

Online 30 September 2009

metal-organic compounds

Acta Cryst. (2009). C65, m367-m370 [ doi:10.1107/S010827010903354X ]

Lagoden dimethylformamide hemisolvate dihydrate: absolute configuration, dipolar interactions and hydrogen-bonding interactions

B. Wicher, M. Gdaniec, D. N. Dalimov and U. N. Zainutdinov

Formula: Na⁺·C₂₀H₃₃O₆^-·0.5C₃H₇NO·2H₂O

Online 5 September 2009

Acta Cryst. (2009). C65, m371-m373 [ doi:10.1107/S0108270109034532 ]

Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin

S. Lipstman and I. Goldberg

Formula: [La(NO₃)₄(C₄₀H₂₇N₈)(H₂O)₂]·3C₆H₄Cl₂

Online 5 September 2009

Acta Cryst. (2009). C65, m374-m376 [ doi:10.1107/S0108270109031084 ]

Poly[diaqua(₄-benzene-1,2-dicarboxylato)(isonicotinato-²O,O')gadolinium(III)]

L.-J. Chen, Z.-G. Zhao, M.-X. Yang and X.-H. Chen

Formula: [Gd(C₆H₄NO₂)(C₈H₄O₄)(H₂O)₂]

Online 5 September 2009

Acta Cryst. (2009). C65, m377-m381 [ doi:10.1107/S0108270109032934 ]

Two novel silver(I) coordination polymers: poly[(₂-2-aminopyrimidine-²N¹:N³)bis(₃-thiocyanato-³S:S:S)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-N)(₃-thiocyanato-³N:S:S)silver(I)]

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

Formula: [Ag₂(NCS)₂(C₄H₅N₃)] and [Ag(NCS)(C₆H₉N₃)]

Online 5 September 2009

Acta Cryst. (2009). C65, m382-m384 [ doi:10.1107/S0108270109030789 ]

[Bis(3,5-dimethylpyrazol-1-yl-N²)hydro(pyrazol-1-yl-N²)borato][(3,5-dimethylpyrazol-1-yl-N²)dihydro(pyrazol-1-yl-N²)borato]nickel(II)

J. Vachon and S. B. Schougaard

Formula: [Ni(C₈H₁₂BN₄)(C₁₃H₁₈BN₆)]

Online 19 September 2009

Acta Cryst. (2009). C65, m385-m387 [ doi:10.1107/S0108270109035495 ]

A new organically templated vanadium tellurite: (H₂dien)[(VO₂)(TeO₃)]₂·2H₂O (dien is diethylenetriamine)

X. Huang, Z. Liu, C. Huang, L. Shen and X. Yan

Formula: (C₄H₁₅N₃)[Te₂V₂O₁₀]·2H₂O

Online 19 September 2009

Acta Cryst. (2009). C65, m388-m390 [ doi:10.1107/S0108270109035501 ]

Poly[[aqua(4,4'-diazenediyldibenzoato-⁴O,O':O'',O''')cadmium(II)]: a twofold interpenetrated three-dimensional coordination polymer of PtS topology

R.-G. Wang, Q. Qiao and T.-D. Tang

Formula: [Cd(C₁₄H₈N₂O₄)(H₂O)]

Online 19 September 2009

Acta Cryst. (2009). C65, m391-m394 [ doi:10.1107/S0108270109034647 ]

(+ac,-ac)-trans-Bis(hinokitiolato)copper(II) and its chloroform disolvate

D. M. Ho, M. E. Berardini and G. M. Arvanitis

Formula: [Cu(C₁₀H₁₁O₂)₂] and [Cu(C₁₀H₁₁O₂)₂]·2CHCl₃

Online 19 September 2009

Acta Cryst. (2009). C65, m395-m397 [ doi:10.1107/S0108270109036130 ]

Poly[[diaqua(₃-3-nitrophthalato)calcium(II)] monohydrate]

M.-L. Guo

Formula: [Ca(C₈H₃NO₆)(H₂O)₂]·H₂O

Online 26 September 2009

Acta Cryst. (2009). C65, m398-m400 [ doi:10.1107/S0108270109036853 ]

Octakis(dimethylammonium) hexa-₂-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging

A. Gerdes and M. R. Bond

Formula: (C₂H₈N)₈[Ni₃Cl₁₂]Cl₂

Online 26 September 2009

Acta Cryst. (2009). C65, m401-m403 [ doi:10.1107/S0108270109036300 ]

A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-₂-aqua-bis(hydroxylamido)-₃-malonato-oxidosodiumvanadium(V)]

Q.-Y. Zhang, H.-Q. Zhang, A.-G. Kong, Q. Yang and Y.-K. Shan

Formula: [NaV(C₃H₂O₄)(NH₂O)₂O(H₂O)₂]

Online 26 September 2009

Acta Cryst. (2009). C65, m404-m406 [ doi:10.1107/S0108270109038190 ]

New organically templated vanadium tellurites: (H₂pn)[V₂TeO₈] (pn is propane-1,3-diamine)

X. Huang, Z. Liu, C. Huang, L. Shen and X. Yan

Formula: (C₃H₁₂N₂)[V₂O₈Te]

Online 26 September 2009

Acta Cryst. (2009). C65, m407-m410 [ doi:10.1107/S0108270109036506 ]

A stair-like two-dimensional silver(I) coordination polymer of N'-(3-cyanobenzylidene)nicotinohydrazide

C.-Y. Niu, A.-M. Ning, L. Meng, C.-H. Kou and Y. He

Formula: [Ag(C₁₄H₁₀N₄O)](AsF₆)

Online 26 September 2009

organic compounds

Acta Cryst. (2009). C65, o495-o497 [ doi:10.1107/S0108270109033861 ]

3-[(E)-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)iminomethyl]quinolin-2(1H)-one: chains built by -stacking of hydrogen-bonded R₂²(8) dimers

J. C. Castillo, R. Abonía, M. B. Hursthouse, J. Cobo and C. Glidewell

Formula: C₂₃H₂₂N₄O

Online 5 September 2009

Acta Cryst. (2009). C65, o498-o501 [ doi:10.1107/S0108270109032715 ]

Rotationally disordered phase of 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene at 293 K

S. Ghanemi, O. Hernandez, A. Boudjada and J. Meinnel

Formula: C₉H₉Br₂I

Online 5 September 2009

Acta Cryst. (2009). C65, o502-o505 [ doi:10.1107/S0108270109033642 ]

Lenalidomide, an antineoplastic drug, and its hemihydrate

K. Ravikumar and B. Sridhar

Formula: C₁₃H₁₃N₃O₃ and C₁₃H₁₃N₃O₃·0.5H₂O

Online 5 September 2009

Acta Cryst. (2009). C65, o506-o508 [ doi:10.1107/S0108270109034568 ]

3-(1H-Pyrrol-2-yl)-1H-pyrazole forms an unusual hydrogen-bonded two-dimensional (3,4)-connected net

K. E. R. Marriott, C. A. Kilner and M. A. Halcrow

Formula: C₇H₇N₃

Online 5 September 2009

Acta Cryst. (2009). C65, o509-o511 [ doi:10.1107/S0108270109034866 ]

Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate

I. Goldberg

Formula: C₅H₆N⁺·CF₃SO₃^-

Online 5 September 2009

Acta Cryst. (2009). C65, o512-o516 [ doi:10.1107/S0108270109036361 ]

Three quinolone compounds featuring OI halogen bonding

J. Bauer, D. Milic and M. Modric

Formula: C₁₄H₁₄INO₃, C₁₅H₁₄INO₃ and C₁₄H₁₅IN₂O₃

Online 19 September 2009

Acta Cryst. (2009). C65, o517-o520 [ doi:10.1107/S0108270109034350 ]

(E)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (E)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures

B. Kosar, Ç. Albayrak, M. Odabasoglu and O. Büyükgüngör

Formula: C₁₄H₁₂ClNO₂ and C₁₄H₁₂ClNO₂

Online 19 September 2009

Acta Cryst. (2009). C65, o521-o524 [ doi:10.1107/S0108270109033083 ]

Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions

I. A. Guzei, C. Wang, Y. Zhan, O. V. Dolomanov and Y.-Q. Cheng

Formula: C₄₀H₆₄O₁₂

Online 19 September 2009

Acta Cryst. (2009). C65, o525-o528 [ doi:10.1107/S0108270109037500 ]

Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate

M.-Y. He, Z.-H. Zhang, L.-D. Lu, X.-J. Yang and X. Wang

Formula: C₁₀H₁₀N₂²⁺·C₈Cl₄O₄^2-·2H₂O and 2C₁₂H₉N₂⁺·C₈Cl₄O₄^2-·C₈H₂Cl₄O₄·3H₂O

Online 26 September 2009

Acta Cryst. (2009). C65, o529-o533 [ doi:10.1107/S0108270109036476 ]

Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone

S. R. Parkin and E. J. Behrman

Formula: C₅H₄ClNO₂, C₅H₄ClNO₂·0.125CHCl₃ and C₅H₄ClNO₂·0.125CCl₄

Online 30 September 2009

Acta Cryst. (2009). C65, o534-o538 [ doi:10.1107/S0108270109037688 ]

Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid

K. Gotoh and H. Ishida

Formula: Four isomers of C₇H₄ClNO₄·C₉H₇N

Online 30 September 2009

Acta Cryst. (2009). C65, o539-o542 [ doi:10.1107/S0108270109035069 ]

A new polymorph of 2-methyl-6-nitroaniline

S. K. Callear and M. B. Hursthouse

Formula: Two polymorphs of C₇H₈N₂O₂

Online 30 September 2009

Acta Cryst. (2009). C65, o543-o548 [ doi:10.1107/S0108270109036622 ]

Proton transfer versus nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid

G. Smith, U. D. Wermuth, D. J. Young and J. M. White

Formula: C₁₂H₁₂N₃⁺·C₇H₅O₆S^-·CH₃OH,C₁₂H₁₂N₃⁺·C₇H₅O₆S^-·CH₃OH and C₁₂H₁₁N₃·2C₇H₄N₂O₆

Online 30 September 2009

Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 10 (October 2009)

inorganic compounds

Bi4Ge3O12 at the onset of pressure-induced amorphization

A. Grzechnik

EuI2, a low-temperature europium(II) iodide phase

M. Krings, M. Wessel and R. Dronskowski

Flux growth and structure of two compounds with the EuIn2P2 structure type, AIn2P2 (A = Ca and Sr), and a new structure type, BaIn2P2

J. F. Rauscher, C. L. Condron, T. Beault, S. M. Kauzlarich, N. Jensen, P. Klavins, S. MaQuilon, Z. Fisk and M. M. Olmstead

Disordered structure of ZrW1.8V0.2O7.9 from a combined X-ray and neutron powder diffraction study at 530 K

X. Chen, J. Tao, H. Ma and X. Zhao

metal-organic compounds

Lagoden dimethylformamide hemisolvate dihydrate: absolute configuration, dipolar interactions and hydrogen-bonding interactions

B. Wicher, M. Gdaniec, D. N. Dalimov and U. N. Zainutdinov

Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin

S. Lipstman and I. Goldberg

Poly[diaqua(4-benzene-1,2-dicarboxylato)(isonicotinato-2O,O')gadolinium(III)]

L.-J. Chen, Z.-G. Zhao, M.-X. Yang and X.-H. Chen

Two novel silver(I) coordination polymers: poly[(2-2-aminopyrimidine-2N1:N3)bis(3-thiocyanato-3S:S:S)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-N)(3-thiocyanato-3N:S:S)silver(I)]

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

[Bis(3,5-dimethylpyrazol-1-yl-N2)hydro(pyrazol-1-yl-N2)borato][(3,5-dimethylpyrazol-1-yl-N2)dihydro(pyrazol-1-yl-N2)borato]nickel(II)

J. Vachon and S. B. Schougaard

A new organically templated vanadium tellurite: (H2dien)[(VO2)(TeO3)]2·2H2O (dien is diethylenetriamine)

X. Huang, Z. Liu, C. Huang, L. Shen and X. Yan

Poly[[aqua(4,4'-diazenediyldibenzoato-4O,O':O'',O''')cadmium(II)]: a twofold interpenetrated three-dimensional coordination polymer of PtS topology

R.-G. Wang, Q. Qiao and T.-D. Tang

(+ac,-ac)-trans-Bis(hinokitiolato)copper(II) and its chloroform disolvate

D. M. Ho, M. E. Berardini and G. M. Arvanitis

Poly[[diaqua(3-3-nitrophthalato)calcium(II)] monohydrate]

M.-L. Guo

Octakis(dimethylammonium) hexa-2-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging

A. Gerdes and M. R. Bond

A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-2-aqua-bis(hydroxylamido)-3-malonato-oxidosodiumvanadium(V)]

Q.-Y. Zhang, H.-Q. Zhang, A.-G. Kong, Q. Yang and Y.-K. Shan

New organically templated vanadium tellurites: (H2pn)[V2TeO8] (pn is propane-1,3-diamine)

X. Huang, Z. Liu, C. Huang, L. Shen and X. Yan

A stair-like two-dimensional silver(I) coordination polymer of N'-(3-cyanobenzylidene)nicotinohydrazide

C.-Y. Niu, A.-M. Ning, L. Meng, C.-H. Kou and Y. He

organic compounds

3-[(E)-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)iminomethyl]quinolin-2(1H)-one: chains built by -stacking of hydrogen-bonded R22(8) dimers

J. C. Castillo, R. Abonía, M. B. Hursthouse, J. Cobo and C. Glidewell

Rotationally disordered phase of 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene at 293 K

S. Ghanemi, O. Hernandez, A. Boudjada and J. Meinnel

Lenalidomide, an antineoplastic drug, and its hemihydrate

K. Ravikumar and B. Sridhar

3-(1H-Pyrrol-2-yl)-1H-pyrazole forms an unusual hydrogen-bonded two-dimensional (3,4)-connected net

K. E. R. Marriott, C. A. Kilner and M. A. Halcrow

Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate

I. Goldberg

Three quinolone compounds featuring OI halogen bonding

J. Bauer, D. Milic and M. Modric

(E)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (E)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures

B. Kosar, Ç. Albayrak, M. Odabasoglu and O. Büyükgüngör

Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions

I. A. Guzei, C. Wang, Y. Zhan, O. V. Dolomanov and Y.-Q. Cheng

Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate

M.-Y. He, Z.-H. Zhang, L.-D. Lu, X.-J. Yang and X. Wang

Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone

S. R. Parkin and E. J. Behrman

Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid

K. Gotoh and H. Ishida

A new polymorph of 2-methyl-6-nitroaniline

S. K. Callear and M. B. Hursthouse

Proton transfer versus nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid

G. Smith, U. D. Wermuth, D. J. Young and J. M. White

Bi₄Ge₃O₁₂ at the onset of pressure-induced amorphization

EuI₂, a low-temperature europium(II) iodide phase

Flux growth and structure of two compounds with the EuIn₂P₂ structure type, AIn₂P₂ (A = Ca and Sr), and a new structure type, BaIn₂P₂

Disordered structure of ZrW_1.8V_0.2O_7.9 from a combined X-ray and neutron powder diffraction study at 530 K

Poly[diaqua(₄-benzene-1,2-dicarboxylato)(isonicotinato-²O,O')gadolinium(III)]

Two novel silver(I) coordination polymers: poly[(₂-2-aminopyrimidine-²N¹:N³)bis(₃-thiocyanato-³S:S:S)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-N)(₃-thiocyanato-³N:S:S)silver(I)]

[Bis(3,5-dimethylpyrazol-1-yl-N²)hydro(pyrazol-1-yl-N²)borato][(3,5-dimethylpyrazol-1-yl-N²)dihydro(pyrazol-1-yl-N²)borato]nickel(II)

A new organically templated vanadium tellurite: (H₂dien)[(VO₂)(TeO₃)]₂·2H₂O (dien is diethylenetriamine)

Poly[[aqua(4,4'-diazenediyldibenzoato-⁴O,O':O'',O''')cadmium(II)]: a twofold interpenetrated three-dimensional coordination polymer of PtS topology

Poly[[diaqua(₃-3-nitrophthalato)calcium(II)] monohydrate]

Octakis(dimethylammonium) hexa-₂-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging

A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-₂-aqua-bis(hydroxylamido)-₃-malonato-oxidosodiumvanadium(V)]

New organically templated vanadium tellurites: (H₂pn)[V₂TeO₈] (pn is propane-1,3-diamine)

3-[(E)-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)iminomethyl]quinolin-2(1H)-one: chains built by -stacking of hydrogen-bonded R₂²(8) dimers