Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 1 (January 2006)


	Cover illustration: The intermolecular interactions in 2,3-dichloro-6-nitrobenzylaminium chloride, including the three-center hydrogen-bond configuration. For clarity, only relevant H atoms and intramolecular interactions are shown. See Rathore, Narasimhamurthy, Vijay, Yathirajan & Nagaraja [Acta Cryst. (2006), C62, o36-o38].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2006). C62, i1-i2 [ doi:10.1107/S0108270105037236 ]

Na_1.50Mn_2.48Al_0.85(PO₄)₃, a new synthetic alluaudite-type compound

F. Hatert

Synopsis: The title compound, an Na-Mn-Al-bearing phosphate, has been synthesized by the hydrothermal technique. The crystal structure is similar to that of the natural mineral alluaudite.

Formula: Na_1.50Mn_2.48Al_0.85(PO₄)₃

Online 10 December 2005

Acta Cryst. (2006). C62, i3-i5 [ doi:10.1107/S0108270105036644 ]

Twinning and structure of Eu_0.6Sr_0.4MnO₃

R. Tamazyan, N. Rotiroti, S. van Smaalen, Y. Mukovskii and A. Arsenov

Synopsis: Eu_0.6Sr_0.4MnO₃ crystallizes with an orthorhombic (Pbnm) perovskite-type structure and displays split positions of the Eu³⁺ and Sr²⁺ cations.

Formula: Eu_0.59Sr_0.41MnO₄

Online 16 December 2005

Acta Cryst. (2006). C62, i6-i8 [ doi:10.1107/S0108270105037121 ]

New triple molybdates Cs₃LiCo₂(MoO₄)₄ and Rb₃LiZn₂(MoO₄)₄, filled derivatives of the Cs₆Zn₅(MoO₄)₈ type

Z. A. Solodovnikova, S. F. Solodovnikov and E. S. Zolotova

Synopsis: Tricesium lithium dicobalt tetrakis(tetraoxomolybdate), Cs₃LiCo₂(MoO₄)₄, and trirubidium lithium dizinc tetrakis(tetraoxomolybdate), Rb₃LiZn₂(MoO₄)₄, are isotypic with Cs₆Zn₅(MoO₄)₈ and contain frameworks of MoO₄ and (M_2/3Li_1/3)O₄ tetrahedra (M = Co and Zn) with alkaline cations in cuboctahedral cavities. The frameworks are close to that of 12CaO·7Al₂O₃ and the cations repeat the Y₃Au₃Sb₄ structure.

Formula: Cs₃LiCo₂(MoO₄)₄ and Rb₃LiZn₂(MoO₄)₄

Online 16 December 2005

Acta Cryst. (2006). C62, i9-i10 [ doi:10.1107/S0108270105038035 ]

Iron(III) dihydrogenphosphate(I)

N. V. Kuratieva and D. Yu. Naumov

Synopsis: The structure of Fe(H₂PO₂)₃ consists of [001] chains of octahedral Fe³⁺ cations ( $\\overline{3}$ symmetry) bridged by bidentate hypophosphite anions.

Formula: Fe(H₂PO₂)₃

Online 16 December 2005

Acta Cryst. (2006). C62, i11-i12 [ doi:10.1107/S0108270105040709 ]

Lead zinc borate, PbZn₂(BO₃)₂

X.-A. Chen, Y.-H. Zhao, X.-A. Chang, L. Zhang and H.-P. Xue

Synopsis: PbZn₂(BO₃)₂ crystallizes in the space group Pccn, with the Pb atom at a site with imposed twofold symmetry. The compound represents a new structure type in which ZnBO₃ layers are bridged by Pb²⁺ cations, giving rise to a three-dimensional framework.

Formula: PbZn₂(BO₃)₂

Online 24 December 2005

metal-organic compounds

Acta Cryst. (2006). C62, m1-m3 [ doi:10.1107/S0108270105036334 ]

Monoclinic and triclinic concomitant polymorphs of di--pyridazine-1²N:2²N'-bis[(saccharinato)silver(I)]

S. Hamamci, V. T. Yilmaz and O. Büyükgüngör

Formula: Two polymorphs of [Ag₂(C₇H₄NO₃S)₂(C₄H₄N₂)₂]

Online 10 December 2005

Acta Cryst. (2006). C62, m4-m6 [ doi:10.1107/S0108270105034220 ]

[{Cu(phen)₂}(-malato){Cu(phen)(NO₃)}](NO₃)·4H₂O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex

X.-D. Zhang, J.-Y. Sun, Z. Zhao, Y.-C. Ma and M.-L. Zhu

Formula: [Cu₂(C₄H₃O₅)(NO₃)(C₁₂H₈N₂)₃](NO₃)·4H₂O

Online 10 December 2005

Acta Cryst. (2006). C62, m7-m9 [ doi:10.1107/S0108270105036358 ]

Poly[tetraaquadi-₄-malonato-barium(II)zinc(II)]

M.-L. Guo and C.-H. Guo

Formula: [BaZn(C₃H₂O₄)₂(H₂O)₄]

Online 10 December 2005

Acta Cryst. (2006). C62, m10-m12 [ doi:10.1107/S0108270105038102 ]

A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges

B.-Z. Li, X.-G. Liu, Z.-H. Wang, B.-L. Li and Y. Zhang

Formula: [Cd(C₂N₃)₂(C₈H₁₂N₆)]

Online 10 December 2005

Acta Cryst. (2006). C62, m13-m15 [ doi:10.1107/S0108270105038047 ]

Diaquamalonato(1,10-phenanthroline)zinc(II)

X.-C. Fu, M.-T. Li, C.-G. Wang and X.-Y. Wang

Formula: [Zn(C₃H₂O₄)(C₁₂H₈N₂)(H₂O)₂]

Online 10 December 2005

Acta Cryst. (2006). C62, m16-m18 [ doi:10.1107/S0108270105039259 ]

VF(C₄O₄)(H₂O)₂: a new layer type of diaquavanadium(III) fluoride squarate

A. Mohanu and J.-C. Trombe

Formula: [V(C₄O₄)F(H₂O)₂]

Online 16 December 2005

Acta Cryst. (2006). C62, m19-m21 [ doi:10.1107/S0108270105040163 ]

(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate

A. Rotondo

Formula: [Pt(C₂₀H₁₆N₄)(C₆H₇N)₂](PF₆)₂·C₃H₆O·0.5H₂O

Online 24 December 2005

Acta Cryst. (2006). C62, m22-m26 [ doi:10.1107/S0108270105040606 ]

Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate

M. Fleck and L. Bohatý

Formula: [Co(H₂O)₆][Co(C₂H₅NO₂)₂(H₂O)₄](SO₄)₂, [Na₄(C₂H₅NO₂)(S₂O₃)₂(H₂O)₂]_n and [K₂(C₂H₅NO₂)(S₂O₃)]_n

Online 24 December 2005

organic compounds

Acta Cryst. (2006). C62, o1-o4 [ doi:10.1107/S0108270105035766 ]

Three-dimensional supramolecular structures in (E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine and (E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine

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

Formula: C₁₈H₁₈N₄O₄ and C₂₀H₂₂N₄O₄

Online 10 December 2005

Acta Cryst. (2006). C62, o5-o7 [ doi:10.1107/S0108270105033512 ]

2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of R₄⁴(22) rings

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

Formula: C₁₄H₁₀N₂O₅

Online 10 December 2005

Acta Cryst. (2006). C62, o8-o12 [ doi:10.1107/S0108270105037753 ]

Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines

A. Quesada, J. Argüello, J. A. Squella, J. L. Wardell, J. N. Low and C. Glidewell

Formula: C₁₅H₁₅N₃O₅, C₁₇H₂₀N₂O₇ and C₁₃H₁₀N₄O₃

Online 10 December 2005

Acta Cryst. (2006). C62, o13-o15 [ doi:10.1107/S0108270105037728 ]

Benzoin 4-ethylthiosemicarbazone

M. Dinçer, N. Özdemir, A. Çukurovali, I. Yilmaz and O. Büyükgüngör

Formula: C₁₇H₁₉N₃OS

Online 10 December 2005

Acta Cryst. (2006). C62, o16-o18 [ doi:10.1107/S010827010503564X ]

Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone

L. Latheef, E. Manoj and M. R. Prathapachandra Kurup

Formula: C₁₄H₁₉N₃OS

Online 10 December 2005

Acta Cryst. (2006). C62, o19-o21 [ doi:10.1107/S0108270105037200 ]

Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate

S. M. Dibrov and J. K. Kochi

Formula: C₈H₁₅N₂⁺·PF₆^-

Online 10 December 2005

Acta Cryst. (2006). C62, o22-o25 [ doi:10.1107/S0108270105038928 ]

L-Isoleucyl-L-serine 0.33-hydrate, L-phenylalanyl-L-serine and L-methionyl-L-serine 0.34-hydrate

C. H. Görbitz, M. Bruvoll, S. Dizdarevic, N. Fimland, J. Hafizovic, H. T. Kalfjøs, A. Krivokapic and K. Vestli

Formula: C₉H₁₈N₂O₄·0.33H₂O, C₁₂H₁₆N₂O₄ and C₈H₁₆N₂O₄S·0.34H₂O

Online 16 December 2005

Acta Cryst. (2006). C62, o26-o29 [ doi:10.1107/S0108270105038631 ]

Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

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

Formula: C₈H₆N₂O₆, C₁₀H₁₀N₂O₆ and C₁₄H₁₀N₂O₆

Online 16 December 2005

Acta Cryst. (2006). C62, o30-o32 [ doi:10.1107/S0108270105038023 ]

5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl-1H-pyrazole: a chain of fused hydrogen-bonded rings

B. Insuasty, H. Torres, J. Cobo, J. N. Low and C. Glidewell

Formula: C₁₉H₁₆ClN₅O₂

Online 16 December 2005

Acta Cryst. (2006). C62, o33-o35 [ doi:10.1107/S0108270105039077 ]

Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole

M. Du, Y.-P. You and Z.-H. Zhang

Formula: C₁₄H₁₀O₄·C₁₂H₈N₄O

Online 16 December 2005

Acta Cryst. (2006). C62, o36-o38 [ doi:10.1107/S0108270105038114 ]

Proton-bifurcated C-H(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

R. S. Rathore, T. Narasimhamurthy, T. Vijay, H. S. Yathirajan and P. Nagaraja

Formula: C₇H₇Cl₂N₂O₂⁺·Cl^-

Online 16 December 2005

Acta Cryst. (2006). C62, o39-o41 [ doi:10.1107/S0108270105039193 ]

1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of R₄⁴(26) rings built from C-HN and C-HO hydrogen bonds

B. Insuasty, H. Torres, J. Cobo, J. N. Low and C. Glidewell

Formula: C₂₆H₁₈Cl₃NO₂

Online 24 December 2005

Acta Cryst. (2006). C62, o42-o44 [ doi:10.1107/S0108270105040126 ]

2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120 K: chains of edge-fused R₂²(8) and R₄⁴(10) rings, and sheets of R₂²(8) and R₆⁶(20) rings

N. Boechat, S. B. Ferreira, C. Glidewell, J. N. Low, J. M. S. Skakle and S. M. S. V. Wardell

Formula: C₂H₃N₃S and C₃H₂F₃N₃S

Online 24 December 2005

Acta Cryst. (2006). C62, o45-o46 [ doi:10.1107/S0108270105040229 ]

3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating R₂²(8) and R₆⁶(36) rings

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

Formula: C₁₀H₁₀N₂O₅

Online 24 December 2005

Acta Cryst. (2006). C62, o47-o49 [ doi:10.1107/S0108270105040230 ]

Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120 K

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

Formula: C₁₁H₁₀N₄O·H₂O

Online 24 December 2005

Acta Cryst. (2006). C62, o50-o52 [ doi:10.1107/S0108270105040667 ]

Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate

S. S. Basok, G. Bocelli, M. S. Fonari, E. V. Ganin and Y. A. Simonov

Formula: 2C₈H₁₈NO₃⁺·2C₇H₆NO₂^-·3H₂O

Online 24 December 2005

Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 1 (January 2006)

inorganic compounds

Na1.50Mn2.48Al0.85(PO4)3, a new synthetic alluaudite-type compound

F. Hatert

Twinning and structure of Eu0.6Sr0.4MnO3

R. Tamazyan, N. Rotiroti, S. van Smaalen, Y. Mukovskii and A. Arsenov

New triple molybdates Cs3LiCo2(MoO4)4 and Rb3LiZn2(MoO4)4, filled derivatives of the Cs6Zn5(MoO4)8 type

Z. A. Solodovnikova, S. F. Solodovnikov and E. S. Zolotova

Iron(III) dihydrogenphosphate(I)

N. V. Kuratieva and D. Yu. Naumov

Lead zinc borate, PbZn2(BO3)2

X.-A. Chen, Y.-H. Zhao, X.-A. Chang, L. Zhang and H.-P. Xue

metal-organic compounds

Monoclinic and triclinic concomitant polymorphs of di--pyridazine-12N:22N'-bis[(saccharinato)silver(I)]

S. Hamamci, V. T. Yilmaz and O. Büyükgüngör

[{Cu(phen)2}(-malato){Cu(phen)(NO3)}](NO3)·4H2O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex

X.-D. Zhang, J.-Y. Sun, Z. Zhao, Y.-C. Ma and M.-L. Zhu

Poly[tetraaquadi-4-malonato-barium(II)zinc(II)]

M.-L. Guo and C.-H. Guo

A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges

B.-Z. Li, X.-G. Liu, Z.-H. Wang, B.-L. Li and Y. Zhang

Diaquamalonato(1,10-phenanthroline)zinc(II)

X.-C. Fu, M.-T. Li, C.-G. Wang and X.-Y. Wang

VF(C4O4)(H2O)2: a new layer type of diaquavanadium(III) fluoride squarate

A. Mohanu and J.-C. Trombe

(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate

A. Rotondo

Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate

M. Fleck and L. Bohatý

organic compounds

Three-dimensional supramolecular structures in (E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine and (E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine

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

2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of R44(22) rings

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

Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines

A. Quesada, J. Argüello, J. A. Squella, J. L. Wardell, J. N. Low and C. Glidewell

Benzoin 4-ethylthiosemicarbazone

M. Dinçer, N. Özdemir, A. Çukurovali, I. Yilmaz and O. Büyükgüngör

Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone

L. Latheef, E. Manoj and M. R. Prathapachandra Kurup

Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate

S. M. Dibrov and J. K. Kochi

L-Isoleucyl-L-serine 0.33-hydrate, L-phenylalanyl-L-serine and L-methionyl-L-serine 0.34-hydrate

C. H. Görbitz, M. Bruvoll, S. Dizdarevic, N. Fimland, J. Hafizovic, H. T. Kalfjøs, A. Krivokapic and K. Vestli

Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

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

5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl-1H-pyrazole: a chain of fused hydrogen-bonded rings

B. Insuasty, H. Torres, J. Cobo, J. N. Low and C. Glidewell

Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole

M. Du, Y.-P. You and Z.-H. Zhang

Proton-bifurcated C-H(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

R. S. Rathore, T. Narasimhamurthy, T. Vijay, H. S. Yathirajan and P. Nagaraja

1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of R44(26) rings built from C-HN and C-HO hydrogen bonds

B. Insuasty, H. Torres, J. Cobo, J. N. Low and C. Glidewell

2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120 K: chains of edge-fused R22(8) and R44(10) rings, and sheets of R22(8) and R66(20) rings

N. Boechat, S. B. Ferreira, C. Glidewell, J. N. Low, J. M. S. Skakle and S. M. S. V. Wardell

3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating R22(8) and R66(36) rings

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

Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120 K

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

Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate

S. S. Basok, G. Bocelli, M. S. Fonari, E. V. Ganin and Y. A. Simonov

Na_1.50Mn_2.48Al_0.85(PO₄)₃, a new synthetic alluaudite-type compound

Twinning and structure of Eu_0.6Sr_0.4MnO₃

New triple molybdates Cs₃LiCo₂(MoO₄)₄ and Rb₃LiZn₂(MoO₄)₄, filled derivatives of the Cs₆Zn₅(MoO₄)₈ type

Lead zinc borate, PbZn₂(BO₃)₂

Monoclinic and triclinic concomitant polymorphs of di--pyridazine-1²N:2²N'-bis[(saccharinato)silver(I)]

[{Cu(phen)₂}(-malato){Cu(phen)(NO₃)}](NO₃)·4H₂O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex

Poly[tetraaquadi-₄-malonato-barium(II)zinc(II)]

VF(C₄O₄)(H₂O)₂: a new layer type of diaquavanadium(III) fluoride squarate

2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of R₄⁴(22) rings

1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of R₄⁴(26) rings built from C-HN and C-HO hydrogen bonds

2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120 K: chains of edge-fused R₂²(8) and R₄⁴(10) rings, and sheets of R₂²(8) and R₆⁶(20) rings

3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating R₂²(8) and R₆⁶(36) rings