Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 3 (March 2012)



[Issue Author Index][Volume Author Index]
[Cover illustration] 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


 

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

Ni5-[delta]Sn4Zn ([delta] ~ 0.25) from single-crystal data

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

Synopsis: The crystal structure of Ni5-[delta]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: Ni3.17Sn2.67Zn0.67

Online 4 February 2012


 

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

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

Synopsis: The crystal structure of Pb5.0(1)In8.4(1)Bi1.6(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: Pb5In8.38Bi1.62S20

Online 4 February 2012


 

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

[CoII4MoV12O28(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 CoII 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


 

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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+·CO32-·H2O2 and 2Cs+·CO32-·3H2O2

Online 23 February 2012


metal-organic compounds


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

Poly[[diaquabis([mu]2-crotonato-[kappa]3O:O,O')(crotonato-[kappa]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


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

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


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

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


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

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

F. Perdih

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

Online 18 February 2012


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

Tricarbonyl([eta]5-formylcyclopentadienyl)manganese(I) and tricarbonyl([eta]5-formylcyclopentadienyl)rhenium(I) containing short [pi](CO)...[pi](CO) and [pi](CO)...[pi] 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


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

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

Formula: [Mo2Cl2O4(C16H22N6)]·C2H3N

Online 23 February 2012


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

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


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

Two isomorphous lanthanide crotonate complexes: di-[mu]-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


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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


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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


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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


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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


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

C-H...X (X = O, N or [pi]) interactions in benzyl carbamate

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

Formula: C8H9NO2

Online 18 February 2012


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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


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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 [pi]-stacking of hydrogen-bonded chains

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

Formula: C20H15BrClNO

Online 23 February 2012


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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


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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


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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


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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


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