Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 2 (February 2013)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The molecular structure of one of the independent molecules of telaprevir, with displacement ellipsoids drawn at the 40% probability level. Minor disorder components have been omitted for clarity. See Gelbrich, Kahlenberg, Langes & Griesser [Acta Cryst. (2013), C69, 179-182].

inorganic compounds


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Acta Cryst. (2013). C69, 105-110  [ doi:10.1107/S0108270113000553 ]

Copper scandium zirconium phosphate: occupancy of the M1 and M2 sites in the temperature range 100-300 K

A. D. Bond and T. E. Warner

Synopsis: Cu2ScZr(PO4)3 adopts a NASICON-type structure. Changes in the site-occupancy factors of the nonframework Cu+ cations suggest increased mobility around a circular orbit close to the M1 site at room temperature, but no movement into or out of the M2 site.

Formula: Cu1.92ScZr(PO4)3 at 100, 200 and 300 K

Online 12 January 2013


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Acta Cryst. (2013). C69, 111-113  [ doi:10.1107/S0108270113000723 ]

Ca10(CrVO4)6(CrVIO4), a disordered mixed-valence chromium compound exhibiting inversion twinning

D. Gyepesová and V. Langer

Synopsis: Racemically twinned crystals of the title compound were studied. The CrVIO4 tetra­hedron is disordered on a threefold axis, while two CrVO4 tetra­hedra are ordered. Ca atoms are coordinated by six (on a threefold axis), seven and eight O atoms.

Formula: Ca10(CrO4)6(CrO4)

Online 16 January 2013


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Acta Cryst. (2013). C69, 114-118  [ doi:10.1107/S0108270113001972 ]

Ba[Co3(VO4)2(OH)2] with a regular Kagomé lattice

T. Đordevic and L. Karanovic

Synopsis: Single crystals of the new layered title compound, barium di-[mu]-hydroxido-di-[mu]-vanadato-tricobaltate(II), were prepared under hydro­thermal conditions. The octa­hedral Co3O6(OH)2 Kagomé layers alternate with barium vanadate heteropolyhedral layers along the c axis.

Formula: Ba[Co3(VO4)2(OH)2]

Online 26 January 2013


metal-organic compounds


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Acta Cryst. (2013). C69, 119-122  [ doi:10.1107/S0108270112051372 ]

Tris[2-(1,3-thia­zol-2-yl-[kappa]N)-1H-benz­imidazole-[kappa]N3]zinc(II) dinitrate ethanol hemisolvate monohydrate at 100 K

F. L. Oliveira, P. C. Huber, W. P. Almeida, J. R. Sabino and R. Aparicio

Formula: [Zn(C10H7N3S)3](NO3)2·0.5C2H6O·H2O

Online 5 January 2013


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Acta Cryst. (2013). C69, 123-126  [ doi:10.1107/S0108270113000942 ]

A twofold inter­woven two-dimensional[rightwards arrow]two-dimen­sional (2-D[rightwards arrow]2-D) cluster-organic network based on the [Cu2I2] cluster and the 4,4'-(diazene­di­yl)dipyridine ligand: poly[[[mu]2-4,4'-(diazenedi­yl)dipyridine]-[mu]2-iodido-copper(I)]

W. Huang, J. Zhang, J. Li and C. Zhang

Formula: [CuI(C10H8N4)]

Online 22 January 2013


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Acta Cryst. (2013). C69, 127-137  [ doi:10.1107/S0108270113000322 ]

Chiral one- and two-dimensional silver(I)-biotin coordination polymers

M. Altaf and H. Stoeckli-Evans

Formula: C10H16N2O3S, [Ag(C10H15N2O3S)]·3H2O and analogues

Online 22 January 2013


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Acta Cryst. (2013). C69, 138-141  [ doi:10.1107/S0108270112051244 ]

Bis[tris­(2,2'-bipyridyl-[kappa]2N,N')cobalt(II)] cyclo-tetra­vanadate undeca­hydrate

K. Zhang, D.-D. Liang, M.-H. Wang, Y. Liu and G.-Y. Luan

Formula: [Co(C10H8N2)3]2[V4O12]·11H2O

Online 26 January 2013


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Acta Cryst. (2013). C69, 142-145  [ doi:10.1107/S0108270113001807 ]

Poly[bis­(4-chloro­pyridinium) tetra-[mu]2-chlorido-tetra­chloridotrimercurate(II)]

L. Jin and D.-H. Wu

Formula: (C5H5ClN)2[Hg3Cl8]

Online 26 January 2013


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Acta Cryst. (2013). C69, 146-149  [ doi:10.1107/S0108270113000541 ]

A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[PtII(en)2]([mu]-SCN)[PtIV(en)2]([mu]-SCN)](ClO4)4 (en is ethane-1,2-diamine)

Y. Ozawa, M. Kim and K. Toriumi

Formula: [Pt2(SCN)2(C2H8N2)4](ClO4)4 and [Pt(SCN)2(C4H8N2)2](ClO4)2·1.5H2O

Online 29 January 2013


organic compounds


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Acta Cryst. (2013). C69, 150-155  [ doi:10.1107/S0108270112050822 ]

Contrasting the supra­molecular structures in the isomeric pair 5-bromo-3-nitro­salicyl­aldehyde phenyl­hydrazone and 3-bromo-5-nitro­salicyl­aldehyde phenyl­hydrazone

L. R. Gomes, J. N. Low and J. L. Wardell

Formula: Two isomers of C13H10BrN3O3

Online 5 January 2013


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Acta Cryst. (2013). C69, 156-157  [ doi:10.1107/S0108270112050196 ]

1-Chloro­furo[3,2-e][2,1,3]benz­oxatellurazole

J. M. Watkins, F. R. Fronczek, R. A. Zehnder and T. Junk

Formula: C8H4ClNO2Te

Online 5 January 2013


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Acta Cryst. (2013). C69, 158-161  [ doi:10.1107/S0108270112050767 ]

Infinite ladder-like chains organized into a three-dimensional zigzag supra­molecular architecture in 9-deaza­hypoxanthine

R. Novotná and Z. Trávnícek

Formula: C6H5N3O

Online 5 January 2013


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Acta Cryst. (2013). C69, 162-171  [ doi:10.1107/S0108270112051049 ]

Six closely related 4,6-disubstituted 2-amino-5-formyl­pyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions

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

Formula: C16H19N5O3, C14H16N6O2, C17H21N5O3, C18H23N5O3 and C15H23N5O3

Online 8 January 2013


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Acta Cryst. (2013). C69, 172-174  [ doi:10.1107/S0108270113000607 ]

5-Methyl-N-[2-nitro-4-(trifluoro­methyl)phen­yl]-1H-pyrazole-3-amine: a chain of hydrogen-bonded R22(6) and R22(16) rings

J. Portilla, I. Ontiveros, J. Cobo and C. Glidewell

Formula: C11H9F3N4O2

Online 12 January 2013


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Acta Cryst. (2013). C69, 175-178  [ doi:10.1107/S0108270112051785 ]

1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexa­meric alcohol cluster' supra­molecular synthon

K. V. Domasevitch

Formula: C20H30O2

Online 16 January 2013


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Acta Cryst. (2013). C69, 179-182  [ doi:10.1107/S0108270113000954 ]

Telaprevir: helical chains based on three-point hydrogen-bond connections

T. Gelbrich, V. Kahlenberg, C. Langes and U. J. Griesser

Formula: C36H53N7O6

Online 16 January 2013


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Acta Cryst. (2013). C69, 183-185  [ doi:10.1107/S0108270113000681 ]

1-Hy­droxy-1H-benzo[d][1,2,6]oxaza­borinin-4(3H)-one

E. A. Sarina, M. M. Olmstead, D. N. Nguyen and M. P. Groziak

Formula: C7H6BNO3

Online 16 January 2013


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Acta Cryst. (2013). C69, 186-190  [ doi:10.1107/S0108270113001133 ]

Aripiprazole salts. III. Bis(aripipra­zolium) oxalate-oxalic acid (1/1)

E. Freire, G. Polla and R. Baggio

Formula: 2C23H28Cl2N3O2+·C2O42-·C2H2O4

Online 16 January 2013


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Acta Cryst. (2013). C69, 191-194  [ doi:10.1107/S0108270113001510 ]

Substituted 4-alk­oxy-7-Cl-quinolines exhibiting [pi]-[pi] stacking

L. R. Gomes, J. N. Low, J. L. Wardell, L. N. de F. Cardoso and M. V. N. De Souza

Formula: C12H10ClNO, C10H8ClNO and C11H10ClNO

Online 22 January 2013


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Acta Cryst. (2013). C69, 195-198  [ doi:10.1107/S0108270113001327 ]

Bis(diisopropyl­ammonium) thio­sulfate and bis­(tert-butyl­ammonium) thio­sulfate

A. Okuniewski, J. Chojnacki, K. Baranowska and B. Becker

Formula: 2C6H16N+·S2O32- and 2C4H12N+·S2O32-

Online 26 January 2013


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Acta Cryst. (2013). C69, 199-203  [ doi:10.1107/S0108270113001790 ]

Two polymorphs of 1,8-dichloro­anthracene

P. Müller, F. R. Fronczek, S. J. Smith, T. Mako and M. Levine

Formula: Two polymorphs of C14H8Cl2

Online 29 January 2013


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Acta Cryst. (2013). C69, 204-208  [ doi:10.1107/S0108270113002485 ]

Relative influence of noncovalent inter­actions on the melting points of a homologous series of 1,2-dibromo-4,5-dialk­oxy­benzenes

A. Fonrouge, F. Cecchi, P. Alborés, R. Baggio and F. D. Cukiernik

Formula: C26H44Br2O2 and C38H68Br2O2

Online 29 January 2013


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