Acta Crystallographica Section C

Crystal Structure Communications

Volume 67, Part 5 (May 2011)


	Cover illustration: A perspective view of 2-amino-6-methylpyrimidin-4(3H)-one-2-amino-6-methylpyrimidin-4(1H)-one-dimethylacetamide (1/1/1), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate hydrogen bonds. See Gerhardt, Tutughamiarso & Bolte [Acta Cryst. (2011), C67, o179-o187].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2011). C67, i27-i29 [ doi:10.1107/S0108270111009048 ]

Dy₂(SO₃)₂(SO₄)(H₂O)₂: the first lanthanide mixed sulfate-sulfite inorganic compound

Z.-C. Zhang, J.-H. Wang and P.-S. Zhao

Synopsis: The title compound exhibits a three-dimensional framework, which is composed of a distinct eight-coordinated Dy^III centre together with [mu] ₄-sulfate and [mu] ₄-sulfite multidentate bridging ligands. The water molecules around the metal centre are stabilized by hydrogen bonds.

Formula: [Dy₂(SO₃)₂(SO₄)(H₂O)₂]

Online 13 April 2011

Acta Cryst. (2011). C67, i30-i32 [ doi:10.1107/S0108270111012273 ]

Synthetic ferric sulfate trihydrate, Fe₂(SO₄)₃·3H₂O, a new ferric sulfate salt

W. Xu and J. B. Parise

Synopsis: A new ferric sulfate trihydrate has been synthesized at 403 K under hydrothermal conditions. The structure consists of quadruple chains of [Fe₂(SO₄)₃(H₂O)₃] $^0_{\\infty}$ parallel to [010]. Each quadruple chain is composed of equal proportions of FeO₄(H₂O)₂ octahedra and FeO₅(H₂O) octahedra sharing corners with SO₄ tetrahedra. The chains are joined to each other by hydrogen bonds.

Formula: Fe₂(SO₄)₃·3H₂O

Online 13 April 2011

metal-organic compounds

Acta Cryst. (2011). C67, m123-m125 [ doi:10.1107/S0108270111008195 ]

A sodium salt of the dimer of boronoterephthalic acid anhydride

S. Simmons, A. Fratini and V. Benin

Formula: Na⁺·C₁₆H₁₅B₂O₁₃^-

Online 12 April 2011

Acta Cryst. (2011). C67, m126-m129 [ doi:10.1107/S0108270111012297 ]

Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ¹³C CP-MAS NMR spectroscopy

R. Kefi, E. Jeanneau, F. Lefebvre and C. Ben Nasr

Formula: (C₈H₁₂N)₂[ZnCl₄]

Online 13 April 2011

Acta Cryst. (2011). C67, m130-m133 [ doi:10.1107/S0108270111011048 ]

-Acetato--aqua--hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate

J. E. Abud, R. P. Sartoris, R. Calvo and R. Baggio

Formula: [Cu₂(C₂H₃O₂)(OH)(C₁₂H₈N₂)₂(H₂O)](NO₃)₂·H₂O

Online 13 April 2011

Acta Cryst. (2011). C67, m134-m136 [ doi:10.1107/S0108270111010535 ]

Diammonium hexakis(thiocyanato-N)rhenate(IV) dimethyl sulfone tetrasolvate

A. Kochel and M. Holynska

Formula: (NH₄)₂[Re(NCS)₆]·4C₂H₆O₂S

Online 14 April 2011

Acta Cryst. (2011). C67, m137-m139 [ doi:10.1107/S0108270111011413 ]

A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(₅-benzene-1,4-diacetato)[₂-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]

J. Wang, X.-J. Xu and J.-Q. Tao

Formula: [Cd(C₁₀H₈O₄)(C₈H₁₂N₆)]

Online 14 April 2011

Acta Cryst. (2011). C67, m140-m144 [ doi:10.1107/S0108270111012121 ]

Bis[(dihydrogen pyrophosphato-²O,O')(2,2':6',2''-terpyridine-³N,N',N'')copper(II)] 4.5-hydrate

M. Perec and R. Baggio

Formula: [Cu(H₂P₂O₇)(C₁₅H₁₁N₃)]₂·4.5H₂O

Online 15 April 2011

Acta Cryst. (2011). C67, m145-m148 [ doi:10.1107/S0108270111013606 ]

Poly[tetra-₂-L-lactato-indium(III)sodium(I)]

J.-J. Wei, N. Zhang, Y.-L. Wang and Q.-Y. Liu

Formula: [InNa(C₃H₅O₃)₄]

Online 15 April 2011

Acta Cryst. (2011). C67, m149-m153 [ doi:10.1107/S0108270111013035 ]

Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-₂-sulfido-disulfido(²-tetrasulfido)ditungsten(V) with Z' = 1 and 2

A. Beheshti, W. Clegg, N. Ebrahimi Filoori and L. Russo

Formula: Two polymorphs of (C₈H₂₀N)[W₂S₄(S₄)(C₁₅H₂₂BN₆)]

Online 16 April 2011

Acta Cryst. (2011). C67, m154-m156 [ doi:10.1107/S0108270111013242 ]

trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-P)platinum(II)

P. N. Bungu, L. Kirsten and S. Otto

Formula: [PtCl₂(C₁₆H₂₃P)₂]

Online 16 April 2011

Acta Cryst. (2011). C67, m157-m159 [ doi:10.1107/S0108270111012686 ]

A new double-cube nitride complex containing titanium and potassium

A. Martín, M. Mena, A. Pérez-Redondo and C. Yélamos

Formula: [K₂Ti₆(C₁₀H₁₅)₆I₂N₂(NH)₆(C₅H₅N)₂]

Online 28 April 2011

Acta Cryst. (2011). C67, m160-m164 [ doi:10.1107/S010827011101403X ]

The hydrogen-bonded dimers of N,N',N''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes

M. Pourayoubi, J. A. Golen, M. Rostami Chaijan, V. Divjakovic, M. Negari and A. L. Rheingold

Formula: [Sn(CH₃)₂Cl₂(C₁₈H₃₆N₃OP)₂] and [Cu(C₁₈H₃₆N₃OP)₂(H₂O)₂](NO₃)₂·2C₁₈H₃₆N₃OP

Online 28 April 2011

Acta Cryst. (2011). C67, m165-m168 [ doi:10.1107/S0108270111014107 ]

trans-Carbonylchloridobis(ferrocenyldiphenylphosphane-P)rhodium(I) dichloromethane monosolvate and trans-carbonylchloridobis(ferrocenyldiphenylphosphane-P)iridium(I) dichloromethane monosolvate

A. Muller and S. Otto

Formula: [Fe₂Rh(C₅H₅)₂(C₁₇H₁₄P)Cl(CO)]·CH₂Cl₂ and [Fe₂Ir(C₅H₅)₂(C₁₇H₁₄P)Cl(CO)]·CH₂Cl₂

Online 28 April 2011

Acta Cryst. (2011). C67, m169-m172 [ doi:10.1107/S0108270111014521 ]

Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-N⁹)bis(homophthalato-O)nickel(II) tetrahydrate and the cobalt(II) analogue

A. M. Atria, G. Corsini, N. Herrera, M. T. Garland and R. Baggio

Formula: [Ni(C₅H₇N₆)₂(C₉H₆O₄)₂(H₂O)₂]·4H₂O and [Co(C₅H₇N₆)₂(C₉H₆O₄)₂(H₂O)₂]·4H₂O

Online 28 April 2011

organic compounds

Acta Cryst. (2011). C67, o151-o153 [ doi:10.1107/S0108270111009267 ]

Multiple intramolecular hydrogen bonds in 2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)-P,P-diphenylphosphorimidoyl]phenol

J.-D. Lee, I.-H. Suh and S. O. Kang

Formula: C₃₈H₄₈NOP

Online 12 April 2011

Acta Cryst. (2011). C67, o154-o156 [ doi:10.1107/S0108270111008675 ]

The effect of Cl interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile

A. Hori, Y. Inoue and H. Yuge

Formula: C₁₆H₁₁ClN₂O₂ and C₁₆H₆ClF₅N₂O₂

Online 12 April 2011

Acta Cryst. (2011). C67, o157-o160 [ doi:10.1107/S010827011101016X ]

(2R,4S)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol: a three-dimensional framework built from O-HN, C-HO and C-H(arene) hydrogen bonds

S. L. Gómez, A. Palma, J. Cobo and C. Glidewell

Formula: C₁₅H₁₆N₂O

Online 12 April 2011

Acta Cryst. (2011). C67, o161-o165 [ doi:10.1107/S0108270111011723 ]

Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

K. Slepokura and I. Mitaszewska

Formula: C₆H₁₄N⁺·C₅H₁₀O₆P^-·H₂O, C₆H₁₄N⁺·C₅H₁₀O₆P^- and C₅H₁₁O₆P

Online 13 April 2011

Acta Cryst. (2011). C67, o166-o170 [ doi:10.1107/S0108270111010328 ]

2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies

M. Rukiah and M. Al-Ktaifani

Formula: C₉H₈O₃S and C₁₃H₁₁NO₅S

Online 14 April 2011

Acta Cryst. (2011). C67, o171-o174 [ doi:10.1107/S0108270111010109 ]

Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine

A. Collas, M. Zeller and F. Blockhuys

Formula: Two polymorphs of C₂₀H₁₄N₄O₄

Online 14 April 2011

Acta Cryst. (2011). C67, o175-o178 [ doi:10.1107/S0108270111011383 ]

A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure

M.-Y. Pan, X.-H. Wu, D.-B. Luo, W. Huang and Y. He

Formula: C₃₂H₂₅N₅O₉·CH₄O

Online 14 April 2011

Acta Cryst. (2011). C67, o179-o187 [ doi:10.1107/S0108270111013072 ]

Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal

V. Gerhardt, M. Tutughamiarso and M. Bolte

Formula: C₄H₆N₄O, C₄H₆N₄O·1.33C₃H₇NO·0.33H₂O, C₄H₆N₄O·C₄H₉NO, C₄H₆N₄O·1.5C₅H₉NO, C₅H₇N₃O·C₅H₇N₃O·C₄H₉NO and C₅H₇N₃O·C₅H₇N₃O·C₅H₉NO

Online 14 April 2011

Acta Cryst. (2011). C67, o188-o191 [ doi:10.1107/S0108270111012157 ]

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman

C. S. Frampton, D. D. MacNicol and D. R. Wilson

Formula: C₁₈H₂₁NO and C₁₈H₂₁NS

Online 16 April 2011

Acta Cryst. (2011). C67, o192-o194 [ doi:10.1107/S0108270111013424 ]

Supramolecular patterns in benzyladeninium p-toluenesulfonate

D. Tamilselvi and P. T. Muthiah

Formula: C₁₂H₁₂N₅⁺·C₇H₇O₃S^-

Online 20 April 2011

Acta Crystallographica Section C

Crystal Structure Communications

Volume 67, Part 5 (May 2011)

inorganic compounds

Dy2(SO3)2(SO4)(H2O)2: the first lanthanide mixed sulfate-sulfite inorganic compound

Z.-C. Zhang, J.-H. Wang and P.-S. Zhao

Synthetic ferric sulfate trihydrate, Fe2(SO4)3·3H2O, a new ferric sulfate salt

W. Xu and J. B. Parise

metal-organic compounds

A sodium salt of the dimer of boronoterephthalic acid anhydride

S. Simmons, A. Fratini and V. Benin

Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by 13C CP-MAS NMR spectroscopy

R. Kefi, E. Jeanneau, F. Lefebvre and C. Ben Nasr

-Acetato--aqua--hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate

J. E. Abud, R. P. Sartoris, R. Calvo and R. Baggio

Diammonium hexakis(thiocyanato-N)rhenate(IV) dimethyl sulfone tetrasolvate

A. Kochel and M. Holynska

A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(5-benzene-1,4-diacetato)[2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]

J. Wang, X.-J. Xu and J.-Q. Tao

Bis[(dihydrogen pyrophosphato-2O,O')(2,2':6',2''-terpyridine-3N,N',N'')copper(II)] 4.5-hydrate

M. Perec and R. Baggio

Poly[tetra-2-L-lactato-indium(III)sodium(I)]

J.-J. Wei, N. Zhang, Y.-L. Wang and Q.-Y. Liu

Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-2-sulfido-disulfido(2-tetrasulfido)ditungsten(V) with Z' = 1 and 2

A. Beheshti, W. Clegg, N. Ebrahimi Filoori and L. Russo

trans-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-P)platinum(II)

P. N. Bungu, L. Kirsten and S. Otto

A new double-cube nitride complex containing titanium and potassium

A. Martín, M. Mena, A. Pérez-Redondo and C. Yélamos

The hydrogen-bonded dimers of N,N',N''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes

M. Pourayoubi, J. A. Golen, M. Rostami Chaijan, V. Divjakovic, M. Negari and A. L. Rheingold

trans-Carbonylchloridobis(ferrocenyldiphenylphosphane-P)rhodium(I) dichloromethane monosolvate and trans-carbonylchloridobis(ferrocenyldiphenylphosphane-P)iridium(I) dichloromethane monosolvate

A. Muller and S. Otto

Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-N9)bis(homophthalato-O)nickel(II) tetrahydrate and the cobalt(II) analogue

A. M. Atria, G. Corsini, N. Herrera, M. T. Garland and R. Baggio

organic compounds

Multiple intramolecular hydrogen bonds in 2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)-P,P-diphenylphosphorimidoyl]phenol

J.-D. Lee, I.-H. Suh and S. O. Kang

The effect of Cl interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile

A. Hori, Y. Inoue and H. Yuge

(2R*,4S*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol: a three-dimensional framework built from O-HN, C-HO and C-H(arene) hydrogen bonds

S. L. Gómez, A. Palma, J. Cobo and C. Glidewell

Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal

K. Slepokura and I. Mitaszewska

2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies

M. Rukiah and M. Al-Ktaifani

Conformational polymorphism of (E,E)-N,N'-bis(4-nitrobenzylidene)benzene-1,4-diamine

A. Collas, M. Zeller and F. Blockhuys

A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure

M.-Y. Pan, X.-H. Wu, D.-B. Luo, W. Huang and Y. He

Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal

V. Gerhardt, M. Tutughamiarso and M. Bolte

(R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman

C. S. Frampton, D. D. MacNicol and D. R. Wilson

Supramolecular patterns in benzyladeninium p-toluenesulfonate

D. Tamilselvi and P. T. Muthiah

Dy₂(SO₃)₂(SO₄)(H₂O)₂: the first lanthanide mixed sulfate-sulfite inorganic compound

Synthetic ferric sulfate trihydrate, Fe₂(SO₄)₃·3H₂O, a new ferric sulfate salt

Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ¹³C CP-MAS NMR spectroscopy

A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(₅-benzene-1,4-diacetato)[₂-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]

Bis[(dihydrogen pyrophosphato-²O,O')(2,2':6',2''-terpyridine-³N,N',N'')copper(II)] 4.5-hydrate

Poly[tetra-₂-L-lactato-indium(III)sodium(I)]

Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-₂-sulfido-disulfido(²-tetrasulfido)ditungsten(V) with Z' = 1 and 2

Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-N⁹)bis(homophthalato-O)nickel(II) tetrahydrate and the cobalt(II) analogue

(2R,4S)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol: a three-dimensional framework built from O-HN, C-HO and C-H(arene) hydrogen bonds