Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 3 (March 2012)


	Cover illustration: Ball-and-stick view of the S₆-symmetric [Cd₆(malonate)₆] metallomacrocycle. See Yuan, Liu, Xie, Xu & Sun [Acta Cryst. (2012), C68, m57-m60].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2012). C68, i9-i11 [ doi:10.1107/S0108270112000455 ]

Ni_5-Sn₄Zn ( 0.25) from single-crystal data

C. Schmetterer, H. S. Effenberger, M. C. J. Marker and H. Flandorfer

Synopsis: The crystal structure of Ni_5-Sn₄Zn ( [delta] 0.25) is an ordered representative of the Ni₂GaGe prototype exhibiting some vacancies at one Ni site. The relation of building blocks to the NiAs structure type is shown.

Formula: Ni_3.17Sn_2.67Zn_0.67

Online 4 February 2012

Acta Cryst. (2012). C68, i12-i16 [ doi:10.1107/S0108270112001011 ]

Pb_5.0(1)In_8.4(1)Bi_1.6(1)S₂₀, a new quaternary lead indium bismuth sulfide

I. Reis, V. Krämer, A. Seiler, D. Topa and E. Keller

Synopsis: The crystal structure of Pb_5.0(1)In_8.4(1)Bi_1.6(1)S₂₀, a compositional variant of a new quaternary sulfide phase, is closely related to the structures of a ternary and another quaternary phase with very different Pb:Bi ratios.

Formula: Pb₅In_8.38Bi_1.62S₂₀

Online 4 February 2012

Acta Cryst. (2012). C68, i17-i19 [ doi:10.1107/S0108270112006014 ]

[Co^II₄Mo^V₁₂O₂₈(OH)₁₂(H₂O)₁₂]·12H₂O: facilitating single-crystal growth by deuteration

A. Ellern and P. Kögerler

Synopsis: The title compound comprises an [epsilon] -Keggin polyoxomolybdate(V) cluster capped by four Co^II centres. The use of deuterated reagents aided the growth of sufficiently large single crystals of this compound, which adopts a monoclinic structure and crystallizes in the space group P2₁/m.

Formula: [Co₄Mo₁₂O₂₈(OH)₁₂(H₂O)₁₂]·12H₂O

Online 23 February 2012

Acta Cryst. (2012). C68, i20-i24 [ doi:10.1107/S0108270112006701 ]

Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds

A. G. Medvedev, A. A. Mikhaylov, A. V. Churakov, P. V. Prikhodchenko and O. Lev

Synopsis: Diammonium carbonate hydrogen peroxide monosolvate, (I), and dicaesium carbonate hydrogen peroxide trisolvate, (II), were crystallized from 98% hydrogen peroxide. The peroxide molecules in both (I) and (II) act as donors in only two hydrogen bonds with carbonate anions.

Formula: 2NH₄⁺·CO₃^2-·H₂O₂ and 2Cs⁺·CO₃^2-·3H₂O₂

Online 23 February 2012

metal-organic compounds

Acta Cryst. (2012). C68, m53-m56 [ doi:10.1107/S0108270112002247 ]

Poly[[diaquabis(₂-crotonato-³O:O,O')(crotonato-²O,O')lanthanum(III)] adenine monosolvate monohydrate]

A. M. Atria, M. T. Garland and R. Baggio

Formula: [La(C₄H₅O₂)₃(H₂O)₂]·C₅H₅N₅·H₂O

Online 4 February 2012

Acta Cryst. (2012). C68, m57-m60 [ doi:10.1107/S0108270112003277 ]

A novel three-dimensional Cd^II metal-organic framework based on [Cd₆(malonate)₆] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-₃-malonato-cadmium(II)]

S. Yuan, M.-J. Liu, H.-Y. Xie, M.-Z. Xu and D. Sun

Formula: [Cd(C₃H₂O₄)(NH₃)]

Online 4 February 2012

Acta Cryst. (2012). C68, m61-m63 [ doi:10.1107/S0108270112003034 ]

Bis(methanol-O)dioxido[3,3'-(1H-1,2,4-triazole-3,5-diyl)diphenolato-³O,N⁴,O']uranium(VI) methanol monosolvate

I. Raspertova, R. Doroschuk, D. Khomenko and R. Lampeka

Formula: [U(C₁₄H₉N₃O₂)O₂(CH₄O)₂]·CH₄O

Online 4 February 2012

Acta Cryst. (2012). C68, m64-m68 [ doi:10.1107/S0108270112004386 ]

(Pentane-2,4-dionato-²O,O')(pyridin-2-amine-N¹)copper(II) and (pentane-2,4-dionato-²O,O')(pyrimidin-2-amine-N¹)copper(II)

F. Perdih

Formula: [Cu(C₅H₇O₂)₂(C₅H₆N₂)] and [Cu(C₅H₇O₂)₂(C₄H₅N₃)]

Online 18 February 2012

Acta Cryst. (2012). C68, m69-m72 [ doi:10.1107/S0108270112005562 ]

Tricarbonyl(⁵-formylcyclopentadienyl)manganese(I) and tricarbonyl(⁵-formylcyclopentadienyl)rhenium(I) containing short (CO)(CO) and (CO) interactions

A. S. Romanov, G. F. Angles, M. Yu. Antipin and T. V. Timofeeva

Formula: [Mn(C₆H₅O)(CO)₃] and [Re(C₆H₅O)(CO)₃]

Online 23 February 2012

Acta Cryst. (2012). C68, m73-m75 [ doi:10.1107/S0108270112004507 ]

A novel dinuclear Mo^VI complex with tris(3,5-dimethyl-1H-pyrazol-1-yl)methane

S. Gago, A. C. Gomes, L. Cunha-Silva, M. Pillinger, I. S. Gonçalves and F. A. Almeida Paz

Formula: [Mo₂Cl₂O₄(C₁₆H₂₂N₆)]·C₂H₃N

Online 23 February 2012

Acta Cryst. (2012). C68, m76-m79 [ doi:10.1107/S0108270112005525 ]

A novel three-dimensional Cd^II coordination polymer: poly[[aquabis(2,2'-bipyridine)(₅-pyrazol-1-ide-3,5-dicarboxylato)(₄-pyrazol-1-ide-3,5-dicarboxylato)(₃-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]

C. Fan, Y. Yue and Z. Lu

Formula: [Cd₄(C₅H₂N₂O₄)(C₅HN₂O₄)₂(C₁₀H₈N₂)₂(H₂O)]·2H₂O

Online 23 February 2012

Acta Cryst. (2012). C68, m80-m84 [ doi:10.1107/S0108270112007263 ]

Two isomorphous lanthanide crotonate complexes: di--but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue

A. M. Atria, M. T. Garland and R. Baggio

Formula: [Dy(C₄H₅O₂)₆(H₂O)₄]·C₅H₅N₅·7H₂O and [Sm(C₄H₅O₂)₆(H₂O)₄]·C₅H₅N₅·7H₂O

Online 25 February 2012

organic compounds

Acta Cryst. (2012). C68, o99-o103 [ doi:10.1107/S0108270112001734 ]

Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid

M. Szczesio, A. Olczak, K. Gobis, H. Foks and M. L. Glówka

Formula: C₁₀H₁₀Cl₂N₂OS₂, C₂₂H₁₈Cl₂N₂OS₂, C₁₁H₁₂Cl₂N₂OS₂ and C₁₁H₁₀Cl₂N₂OS₂

Online 4 February 2012

Acta Cryst. (2012). C68, o104-o107 [ doi:10.1107/S0108270112002934 ]

5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin

C. F. Pereira, J. A. Fernandes, J. M. M. Rodrigues, S. M. F. Vilela, J. P. C. Tomé and F. A. Almeida Paz

Formula: C₄₈H₂₀F₁₉N₄O₃P

Online 4 February 2012

Acta Cryst. (2012). C68, o108-o110 [ doi:10.1107/S0108270112005495 ]

Trimethylurea

C. Döring, C. Taouss and P. G. Jones

Formula: C₄H₁₀N₂O

Online 18 February 2012

Acta Cryst. (2012). C68, o111-o113 [ doi:10.1107/S010827011200443X ]

Antidiarrhetic loperamide hydrochloride

J. Brüning, D. Podgorski, E. Alig, J. W. Bats and M. U. Schmidt

Formula: C₂₉H₃₄ClN₂O₂⁺·Cl^-

Online 18 February 2012

Acta Cryst. (2012). C68, o114-o118 [ doi:10.1107/S0108270112003186 ]

C-HX (X = O, N or ) interactions in benzyl carbamate

I. Mata, E. Molins, M. Amat, N. Llor and B. Checa

Formula: C₈H₉NO₂

Online 18 February 2012

Acta Cryst. (2012). C68, o119-o122 [ doi:10.1107/S0108270112007603 ]

2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone

G. Journot, R. Neier and H. Stoeckli-Evans

Formula: C₁₁H₁₈N₂ and C₁₃H₂₀N₂O

Online 23 February 2012

Acta Cryst. (2012). C68, o123-o125 [ doi:10.1107/S0108270112004520 ]

(2RS,4SR)-7-Bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: sheets built by the -stacking of hydrogen-bonded chains

A. F. Yépes, A. Palma, J. Cobo and C. Glidewell

Formula: C₂₀H₁₅BrClNO

Online 23 February 2012

Acta Cryst. (2012). C68, o126-o130 [ doi:10.1107/S0108270112003988 ]

Chain formation by disordered, but correlated, hydrogen bonds in cis-(2RS,4SR)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol and cis-(2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

M. C. Blanco, A. Palma, J. Cobo and C. Glidewell

Formula: C₁₄H₁₅NOS and C₁₅H₁₇NOS

Online 23 February 2012

Acta Cryst. (2012). C68, o131-o140 [ doi:10.1107/S010827011200707X ]

Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions

M. C. Blanco, A. Palma, J. Cobo and C. Glidewell

Formula: C₁₄H₁₂N₂O₄, C₁₅H₁₅FN₂O, C₁₅H₁₄FNO₂, C₁₅H₁₄FNOS, C₁₅H₁₄FNOS, C₁₅H₁₄ClNO₂, C₁₆H₁₄F₃NO₃, C₁₆H₁₄F₃NO₂S and C₁₅H₁₁F₃N₂O₅

Online 24 February 2012

Acta Cryst. (2012). C68, o141-o143 [ doi:10.1107/S0108270112007597 ]

1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4H)-one

K. Ejsmont, A. Kudelko and W. Zielinski

Formula: C₁₇H₂₃N₃O₃

Online 24 February 2012

Acta Cryst. (2012). C68, o144-o148 [ doi:10.1107/S0108270112005252 ]

Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR

S. L. Bekö, D. Urmann, A. Lakatos, C. Glaubitz and M. U. Schmidt

Formula: C₉H₁₄ClN₆O₂⁺·Cl^-

Online 24 February 2012

Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 3 (March 2012)

inorganic compounds

Ni5-Sn4Zn ( 0.25) from single-crystal data

C. Schmetterer, H. S. Effenberger, M. C. J. Marker and H. Flandorfer

Pb5.0(1)In8.4(1)Bi1.6(1)S20, a new quaternary lead indium bismuth sulfide

I. Reis, V. Krämer, A. Seiler, D. Topa and E. Keller

[CoII4MoV12O28(OH)12(H2O)12]·12H2O: facilitating single-crystal growth by deuteration

A. Ellern and P. Kögerler

Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds

A. G. Medvedev, A. A. Mikhaylov, A. V. Churakov, P. V. Prikhodchenko and O. Lev

metal-organic compounds

Poly[[diaquabis(2-crotonato-3O:O,O')(crotonato-2O,O')lanthanum(III)] adenine monosolvate monohydrate]

A. M. Atria, M. T. Garland and R. Baggio

A novel three-dimensional CdII metal-organic framework based on [Cd6(malonate)6] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-3-malonato-cadmium(II)]

S. Yuan, M.-J. Liu, H.-Y. Xie, M.-Z. Xu and D. Sun

Bis(methanol-O)dioxido[3,3'-(1H-1,2,4-triazole-3,5-diyl)diphenolato-3O,N4,O']uranium(VI) methanol monosolvate

I. Raspertova, R. Doroschuk, D. Khomenko and R. Lampeka

(Pentane-2,4-dionato-2O,O')(pyridin-2-amine-N1)copper(II) and (pentane-2,4-dionato-2O,O')(pyrimidin-2-amine-N1)copper(II)

F. Perdih

Tricarbonyl(5-formylcyclopentadienyl)manganese(I) and tricarbonyl(5-formylcyclopentadienyl)rhenium(I) containing short (CO)(CO) and (CO) interactions

A. S. Romanov, G. F. Angles, M. Yu. Antipin and T. V. Timofeeva

A novel dinuclear MoVI complex with tris(3,5-dimethyl-1H-pyrazol-1-yl)methane

S. Gago, A. C. Gomes, L. Cunha-Silva, M. Pillinger, I. S. Gonçalves and F. A. Almeida Paz

A novel three-dimensional CdII coordination polymer: poly[[aquabis(2,2'-bipyridine)(5-pyrazol-1-ide-3,5-dicarboxylato)(4-pyrazol-1-ide-3,5-dicarboxylato)(3-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]

C. Fan, Y. Yue and Z. Lu

Two isomorphous lanthanide crotonate complexes: di--but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue

A. M. Atria, M. T. Garland and R. Baggio

organic compounds

Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid

M. Szczesio, A. Olczak, K. Gobis, H. Foks and M. L. Glówka

5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin

C. F. Pereira, J. A. Fernandes, J. M. M. Rodrigues, S. M. F. Vilela, J. P. C. Tomé and F. A. Almeida Paz

Trimethylurea

C. Döring, C. Taouss and P. G. Jones

Antidiarrhetic loperamide hydrochloride

J. Brüning, D. Podgorski, E. Alig, J. W. Bats and M. U. Schmidt

C-HX (X = O, N or ) interactions in benzyl carbamate

I. Mata, E. Molins, M. Amat, N. Llor and B. Checa

2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone

G. Journot, R. Neier and H. Stoeckli-Evans

(2RS,4SR)-7-Bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: sheets built by the -stacking of hydrogen-bonded chains

A. F. Yépes, A. Palma, J. Cobo and C. Glidewell

Chain formation by disordered, but correlated, hydrogen bonds in cis-(2RS,4SR)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol and cis-(2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

M. C. Blanco, A. Palma, J. Cobo and C. Glidewell

Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions

M. C. Blanco, A. Palma, J. Cobo and C. Glidewell

1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4H)-one

K. Ejsmont, A. Kudelko and W. Zielinski

Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR

S. L. Bekö, D. Urmann, A. Lakatos, C. Glaubitz and M. U. Schmidt

Ni_5-Sn₄Zn ( 0.25) from single-crystal data

Pb_5.0(1)In_8.4(1)Bi_1.6(1)S₂₀, a new quaternary lead indium bismuth sulfide

[Co^II₄Mo^V₁₂O₂₈(OH)₁₂(H₂O)₁₂]·12H₂O: facilitating single-crystal growth by deuteration

Poly[[diaquabis(₂-crotonato-³O:O,O')(crotonato-²O,O')lanthanum(III)] adenine monosolvate monohydrate]

A novel three-dimensional Cd^II metal-organic framework based on [Cd₆(malonate)₆] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-₃-malonato-cadmium(II)]

Bis(methanol-O)dioxido[3,3'-(1H-1,2,4-triazole-3,5-diyl)diphenolato-³O,N⁴,O']uranium(VI) methanol monosolvate

(Pentane-2,4-dionato-²O,O')(pyridin-2-amine-N¹)copper(II) and (pentane-2,4-dionato-²O,O')(pyrimidin-2-amine-N¹)copper(II)

Tricarbonyl(⁵-formylcyclopentadienyl)manganese(I) and tricarbonyl(⁵-formylcyclopentadienyl)rhenium(I) containing short (CO)(CO) and (CO) interactions

A novel dinuclear Mo^VI complex with tris(3,5-dimethyl-1H-pyrazol-1-yl)methane

A novel three-dimensional Cd^II coordination polymer: poly[[aquabis(2,2'-bipyridine)(₅-pyrazol-1-ide-3,5-dicarboxylato)(₄-pyrazol-1-ide-3,5-dicarboxylato)(₃-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]