Acta Crystallographica Section C

Crystal Structure Communications

Volume 66, Part 4 (April 2010)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Two-dimensional isostructurality among polymorphs of benzene-1,2-diamine, showing (top) the crystal packing in one polymorph, viewed down the a axis, and (bottom) the crystal packing in a second polymorph, viewed down the b axis. Hydrogen bonds are shown as dotted lines. See Czapik & Gdaniec [Acta Cryst. (2010), C66, o198-o201].

inorganic compounds


 

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Acta Cryst. (2010). C66, i39-i41  [ doi:10.1107/S0108270110007195 ]

The triple pyrophosphate Cs3CaFe(P2O7)2

N. Yu. Strutynska, V. N. Baumer, I. V. Zatovsky, A. A. Babaryk and N. S. Slobodyanik

Synopsis: The title compound, Cs3CaFe(P2O7)2, consists of [FeO5] and [CaO6] polyhedra interconnected by two types of P2O7 groups. Cs atoms are located in three positions inside channels which run along a.

Formula: Cs3CaFe(P2O7)2

Online 6 March 2010


 

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Acta Cryst. (2010). C66, i42-i44  [ doi:10.1107/S0108270110007146 ]

Substitutional and positional disorder in Sr2.88Cu3.12(PO4)4

L. Karanovic, S. Sutovic, D. Poleti, T. Đordevic and A. Pacevski

Synopsis: In Sr2.88Cu3.12(PO4)4, the special Sr1 site (2b, site symmetry \\overline{1}) is occupied by 0.88 (3) Sr and 0.12 (3) Cu, while Sr2 cations partially occupy two positions denoted as Sr2a and Sr2b, separated by a distance of 0.48 (3) Å. The Sr cations are situated between layers formed by the connection of Cu atoms by PO4 tetrahedra.

Formula: Sr2.88Cu3.12(PO4)4

Online 6 March 2010


metal-organic compounds


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Acta Cryst. (2010). C66, m89-m96  [ doi:10.1107/S010827011000572X ]

Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride

I. A. Guzei, L. C. Spencer, M. K. Ainooson and J. Darkwa

Formula: C5H10N3+·Cl- and [CoCl2(C2H8NO)2(H2O)2]Cl2

Online 6 March 2010


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Acta Cryst. (2010). C66, m97-m100  [ doi:10.1107/S0108270110006979 ]

Poly[[[aqua(2,2'-bipyridine-[kappa]2N,N')manganese(II)]-[mu]-croconato-[kappa]4O,O':O'',O'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic-hydrophilic and lipophilic-lipophilic interactions at 135 K

H.-F. Chen, Q. Fang, H.-Y. Chen, W.-T. Yu and L.-H. Weng

Formula: [Mn(C5O5)(C10H8N2)(H2O)]·H2O

Online 6 March 2010


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Acta Cryst. (2010). C66, m101-m103  [ doi:10.1107/S0108270110006074 ]

Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III)

M. Bujak

Formula: (C4H12N)3[SbCl6]

Online 6 March 2010


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Acta Cryst. (2010). C66, m104-m106  [ doi:10.1107/S0108270110004567 ]

Tris(1,10-phenanthroline-[kappa]2N,N')cadmium(II) bis(perchlorate) 3.5-hydrate: a water chain stabilized by perchlorate anions

Y.-H. Sun, Z.-Y. Du, S.-Y. Zhang, Y.-F. He and Z.-G. Zhou

Formula: [Cd(C12H8N2)3](ClO4)2·3.5H2O

Online 6 March 2010


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Acta Cryst. (2010). C66, m107-m109  [ doi:10.1107/S0108270110005755 ]

Orientational disorder in [Lambda]-cobalt(III) sepulchrate trinitrate

A. Schönleber, S. van Smaalen and F. K. Larsen

Formula: [Co(C12H30N8)](NO3)3

Online 6 March 2010


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Acta Cryst. (2010). C66, m110-m113  [ doi:10.1107/S0108270110008085 ]

Poly[[tetraaqua([mu]7-pyridine-2,3,5,6-tetracarboxylato)dicadmium(II)] monohydrate]

S. Yan, L. Shi and C. Wu

Formula: [Cd2(C9HNO8)(H2O)4]·H2O

Online 9 March 2010


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Acta Cryst. (2010). C66, m114-m117  [ doi:10.1107/S0108270110009510 ]

Copper(II) chloride and bromide complexes with 2-methyl-2H-tetrazol-5-amine: an X-ray powder diffraction study

L. S. Ivashkevich, A. S. Lyakhov, A. P. Mosalkova, P. N. Gaponik and O. A. Ivashkevich

Formula: [CuBr2(C2H5N5)2] and [CuCl2(C2H5N5)2]

Online 19 March 2010


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Acta Cryst. (2010). C66, m118-m121  [ doi:10.1107/S0108270110009984 ]

An unusual polycatenating network self-assembled by the 2D [rightwards arrow] 2D parallel [rightwards arrow] 3D parallel interpenetration of coordinative and hydrogen-bonded (6,3) motifs

S. Wang, D. Li, J. Dou and D. Wang

Formula: [Cd2(C12H10O9)2(C12H10N2)(H2O)4]·C12H10N2·2H2O

Online 27 March 2010


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Acta Cryst. (2010). C66, m122-m126  [ doi:10.1107/S010827011001022X ]

Zoledronate complexes. II. catena-Poly[[tetraaquabis[hemihydrogen [mu]3-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-[kappa]3O:O':O'']bis[[mu]3-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-[kappa]4O:O,O':O'']trisodium] dihydrate]

E. Freire, D. R. Vega and R. Baggio

Formula: [Na3(C5H9N2O7P2)2(C5H9.5N2O7P2)2(H2O)4]·2H2O

Online 27 March 2010


organic compounds


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Acta Cryst. (2010). C66, o151-o153  [ doi:10.1107/S0108270110007572 ]

An ice-like water hexamer with \\overline{3} symmetry in the hydrogen-bonded structure of 2,3,5,6-tetrafluoro-1,4-bis(imidazol-1-ylmethyl)benzene dihydrate

H. Xu, J.-L. Mi, Z.-J. Hu, X.-K. Guo and Q. Chen

Formula: C14H10F4N4·2H2O

Online 6 March 2010


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Acta Cryst. (2010). C66, o154-o158  [ doi:10.1107/S0108270110006967 ]

2-Amino-4-(piperidin-1-yl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride-benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds

J. Quiroga, J. Trilleras, J. Cobo and C. Glidewell

Formula: C16H19N6+·Cl-·H2O and C19H19N6+·Cl-·C6H8N2

Online 6 March 2010


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Acta Cryst. (2010). C66, o159-o162  [ doi:10.1107/S0108270110006980 ]

5-Amino-1-benzoyl-3-methylpyrazole: complex sheets built from N-H...N, C-H...O and C-H...[pi](arene) hydrogen bonds

J. Quiroga, J. Portilla, M. B. Hursthouse, J. Cobo and C. Glidewell

Formula: C11H11N3O

Online 6 March 2010


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Acta Cryst. (2010). C66, o163-o167  [ doi:10.1107/S0108270110006451 ]

A hydrogen-bonded dimer in 6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine and a chain of rings built from N-H...N and C-H...[pi](pyridine) hydrogen bonds in 3-(4-nitrophenyl)-4-phenyl-1H-pyrazolo[3,4-b]pyridine

J. Quiroga, J. Trilleras, M. B. Hursthouse, J. Cobo and C. Glidewell

Formula: C19H16BrN3 and C18H12N4O2

Online 6 March 2010


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Acta Cryst. (2010). C66, o168-o173  [ doi:10.1107/S0108270110006244 ]

Hydrogen-bonding patterns in three substituted N-benzyl-N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)acetamides

G. López, L. M. Jaramillo, R. Abonia, J. Cobo and C. Glidewell

Formula: C23H26ClN3O2, C22H23Cl2N3O and C26H31N3O2S2

Online 6 March 2010


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Acta Cryst. (2010). C66, o174-o175  [ doi:10.1107/S0108270109049361 ]

Tri-tert-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate

R. S. Sengar, S. J. Geib, A. Nigam and E. C. Wiener

Formula: C26H45N3O8

Online 6 March 2010


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Acta Cryst. (2010). C66, o176-o178  [ doi:10.1107/S0108270110004634 ]

The 293 K structure of tetradehydrohaliclonacyclamine A

I. W. Mudianta, M. J. Garson and P. V. Bernhardt

Formula: C32H52N2

Online 6 March 2010


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Acta Cryst. (2010). C66, o179-o181  [ doi:10.1107/S0108270110004221 ]

Three-dimensional supramolecular architecture in imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate

L.-L. Yu, M.-L. Cheng, Q. Liu, Z.-H. Zhang and Q. Chen

Formula: C3H5N2+·C8HF4O4-

Online 6 March 2010


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Acta Cryst. (2010). C66, o182-o184  [ doi:10.1107/S0108270110005846 ]

C-H...[pi] interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene

F. Meyer-Wegner, H.-W. Lerner and M. Bolte

Formula: C8H18Si2·C6H6 and C14H10·C6H6

Online 6 March 2010


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Acta Cryst. (2010). C66, o185-o186  [ doi:10.1107/S0108270110005871 ]

6[beta]-Methyl-B-norandrostenedione

L. C. R. Andrade, M. J. M. de Almeida, M. A. C. Neves, T. C. P. Dinis and M. L. Sá e Melo

Formula: C19H26O2

Online 6 March 2010


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Acta Cryst. (2010). C66, o187-o189  [ doi:10.1107/S0108270110005780 ]

Crystallographic rationalization of the reactivity and spectroscopic properties of (2R)-S-(2,5-dihydroxyphenyl)cysteine

G. Kociok-Köhn and S. E. Lewis

Formula: C9H11NO4S

Online 6 March 2010


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Acta Cryst. (2010). C66, o190-o193  [ doi:10.1107/S0108270110007134 ]

4-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-3,5-dimethyl-1H-pyrazol-2-ium dihydrogen phosphate: a combined X-ray and DFT study

D. K. Hazra, R. Chatterjee, M. Ali and M. Mukherjee

Formula: C11H17N4+·H2PO4-

Online 6 March 2010


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Acta Cryst. (2010). C66, o194-o197  [ doi:10.1107/S0108270110008036 ]

2-Amino-8-(2-deoxy-2-fluoro-[beta]-D-arabinofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one monohydrate, a 2'-deoxyguanosine analogue with an altered Watson-Crick recognition site

D. Jiang, S. Budow, V. Glaçon, H. Eickmeier, H. Reuter, Y. He and F. Seela

Formula: C10H12FN5O4·H2O

Online 9 March 2010


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Acta Cryst. (2010). C66, o198-o201  [ doi:10.1107/S0108270110008474 ]

A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs

A. Czapik and M. Gdaniec

Formula: C6H8N2

Online 9 March 2010


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Acta Cryst. (2010). C66, o202-o205  [ doi:10.1107/S0108270110009285 ]

Pentacoordination versus tetracoordination in silicon derivatives of an O,N,O'-tridentate ligand

U. Böhme and S. Fels

Formula: C30H30N2O6Si and C16H17NO3Si

Online 13 March 2010


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Acta Cryst. (2010). C66, o206-o208  [ doi:10.1107/S010827011000884X ]

A three-dimensional hydrogen-bonded framework in (2S*,4R*)-7-fluoro-2-exo-[(E)-styryl]-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine

L. M. Acosta, A. Palma, A. Bahsas, J. Cobo and C. Glidewell

Formula: C18H16FNO

Online 16 March 2010


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Acta Cryst. (2010). C66, o209-o214  [ doi:10.1107/S0108270110009017 ]

Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines

L. M. Acosta, A. Palma, A. Bahsas, J. Cobo and C. Glidewell

Formula: C12H13NO, C14H16ClNO, C15H18ClNO, C15H18ClNO, C14H16ClNO and C13H13Cl2NO

Online 16 March 2010


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Acta Cryst. (2010). C66, o215-o218  [ doi:10.1107/S0108270110008024 ]

1-([beta]-D-Erythrofuranosyl)adenosine

P. C. Kline, H. Zhao, B. C. Noll, A. G. Oliver and A. S. Serianni

Formula: C9H11N5O3

Online 19 March 2010


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Acta Cryst. (2010). C66, o219-o221  [ doi:10.1107/S0108270110009121 ]

Benzene-1,4-diboronic acid-4,4'-bipyridine-water (1/2/2)

A. Vega, M. Zarate, H. Tlahuext and H. Höpfl

Formula: C6H8B2O4·2C10H8N2·2H2O

Online 20 March 2010


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Acta Cryst. (2010). C66, o222-o224  [ doi:10.1107/S0108270110010413 ]

Unexpected conformational consequences of weak hydrogen bonds on 1,3,7,9,13,15,19,21-octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosane monohydrate

A. Rivera, J. Ríos-Motta, M. Dusek and M. Jarosová

Formula: C20H40N8·H2O

Online 27 March 2010


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Acta Cryst. (2010). C66, o225-o228  [ doi:10.1107/S010827011000987X ]

Hydrogen-bonded networks in 5-chloropyridin-2-amine-fumaric acid (2/1) and 2-aminopyridinium DL-malate

G. J. Perpétuo and J. Janczak

Formula: 2C5H5ClN2·C4H4O4 and C5H7N2+·C4H5O5-

Online 27 March 2010


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Acta Cryst. (2010). C66, o229-o232  [ doi:10.1107/S0108270110009820 ]

Hydrogen-bonding controls the solid-state and enantiomeric comformations of the amino alcohol ligand 2-[(2-hydroxyethyl)amino]cyclohexanol

A. S. de Sousa, Z. Hlam, M. A. Fernandes and H. M. Marques

Formula: C8H17NO2

Online 27 March 2010


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Acta Cryst. (2010). C66, o233-o240  [ doi:10.1107/S0108270110009662 ]

Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets

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

Formula: C16H15NO, C16H14ClNO, C17H17NO, C16H14BrNO and C16H13BrClNO

Online 27 March 2010


addenda and errata


 

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Acta Cryst. (2010). C66, e11-e12  [ doi:10.1107/S0108270110009443 ]

[mu]2-Acetato-[kappa]2O:O'-tris([mu]2-ferrocenecarboxylato-[kappa]2O:O')bis[(N,N-dimethylformamide-[kappa]O)copper(II)]. Corrigendum

J.-H. Luo, C.-C. Huang, X.-H. Huang and J.-G. Wang

Synopsis: Corrigendum to Acta Cryst. (2008), C64, m121-m122.

Formula: [Cu2Fe3(C5H5)3(C2H3O2)(C6H4O2)3(C3H7NO)2]0.84[Cu2Fe2(C5H5)2(C2H3O2)2(C6H4O2)2(C3H7NO)2]0.16

Online 30 March 2010


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