Crystal Structure Communications

 

Acta Cryst. (2010). C66, i99-i102  [ doi:10.1107/S0108270110046299 ]

The structural phase transition in SrV₆O₁₁

Y. Hata, Y. Kanke and E. Kita

Synopsis: The structural transition in SrV₆O₁₁ was studied in detail by single-crystal X-ray diffraction and specific heat measurements. The specific heat showed three anomalies at 43.8, 77.7 and 322 K. The diffraction study established that SrV₆O₁₁ crystallizes in P6₃mc at 353 K, but in P6₃/mmc at room temperature. The present study establishes that the P6₃/mmc to P6₃mc transition takes place at 322 K, coinciding with the magnetic transition.

Formula: SrV₆O₁₁

Online 19 November 2010

 

Acta Cryst. (2010). C66, m363-m365  [ doi:10.1107/S0108270110044008 ]

Bis[S-benzyl-3-(4-n-octyloxybenzylidene)dithiocarbazato-²N³,S']palladium(II)

M. T. H. Tarafder, M. A. A. A. A. Islam, M. B. H. Howlader, N. Guidolin and E. Zangrando

Formula: [Pd(C₂₃H₂₉N₂OS₂)₂]

Online 6 November 2010

 

Acta Cryst. (2010). C66, m366-m370  [ doi:10.1107/S010827011004223X ]

2,6-Bis(1-benzyl-1H-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex

P. Danielraj, B. Varghese and S. Sankararaman

Formula: C₂₃H₁₉N₇ and [Cu(BF₄)(C₅H₅N)(C₂₃H₁₉N₇)(H₂O)]BF₄

Online 6 November 2010

 

Acta Cryst. (2010). C66, m371-m374  [ doi:10.1107/S0108270110044872 ]

Poly[[tetraaquadi-₄-glutarato-₂-terephthalato-dineodymium(III)] heptadecahydrate]

R. A. Zehnder, N. C. Fontaine, M. Zeller and R. A. Renn

Formula: [Nd₂(C₅H₆O₄)₂(C₈H₄O₄)(H₂O)₄]·17H₂O

Online 10 November 2010

 

Acta Cryst. (2010). C66, m375-m378  [ doi:10.1107/S0108270110044343 ]

catena-Poly[copper(II)-di--acetylacetonato-copper(II)-bis(-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)

L.-F. Jiang

Formula: [Cu(C₁₄H₁₂N₃O₃)(C₅H₇O₂)] and [Cu(C₁₄H₁₂N₃O₂)(C₅H₇O₂)]

Online 10 November 2010

 

Acta Cryst. (2010). C66, m379-m383  [ doi:10.1107/S010827011004761X ]

Poly[[aqua-₃-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-₃-2,2-dimethylmalonato-copper(II)]

M.-L. Guo and F.-Q. Wang

Formula: [Cu(C₅H₃O₄)(H₂O)]·H₂O and [Cu(C₅H₃O₄)(H₂O)]

Online 23 November 2010

 

Acta Cryst. (2010). C66, m384-m386  [ doi:10.1107/S0108270110045774 ]

Poly[[(₂-biphenyl-2,4'-dicarboxylato)[₂-1,4-bis(imidazol-1-ylmethyl)benzene]cadmium(II)] 0.15-hydrate]

J. Li, C. Li and Z.-L. Wang

Formula: [Cd(C₁₄H₈O₄)(C₁₄H₁₄N₄)]·0.15H₂O

Online 23 November 2010

 

Acta Cryst. (2010). C66, m387-m390  [ doi:10.1107/S0108270110046743 ]

A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-²N,N')bis(biphenyl-2,4'-dicarboxylato-O)manganese(II) hexahydrate

Z.-L. Wang, L. Wei and M.-X. Li

Formula: (C₆H₈N₄)[Mn(C₁₄H₈O₄)₂(C₆H₆N₄)₂]·6H₂O

Online 23 November 2010

 

Acta Cryst. (2010). C66, o565-o570  [ doi:10.1107/S0108270110043556 ]

Intermolecular C-FH-C contacts in the molecular packing of three isostructural N-(fluorophenyl)mannopyranosylamines

W. H. Ojala, T. M. Skrypek, B. C. MacQueen and C. R. Ojala

Formula: Three isomers of C₁₂H₁₆FNO₅

Online 6 November 2010

 

Acta Cryst. (2010). C66, o571-o574  [ doi:10.1107/S0108270110040448 ]

N-(X-Methylphenyl)-2-{(Z)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where X = 2 and 3

G. Darshan, Vasu, D. Chopra and J. Saravanan

Formula: Two isomers of C₂₆H₂₈N₂O₄S

Online 6 November 2010

 

Acta Cryst. (2010). C66, o575-o580  [ doi:10.1107/S0108270110042356 ]

Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids rac-trans-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)

G. Smith and U. D. Wermuth

Formula: 2CH₆N₃⁺·C₈H₁₀O₄^2-, CH₆N₃⁺·C₈H₅O₄^-·H₂O and 2CH₆N₃⁺·C₈H₄O₄^2-·3H₂O

Online 6 November 2010

 

Acta Cryst. (2010). C66, o581-o584  [ doi:10.1107/S0108270110043325 ]

Interaction of thiamine with anions in the triclinic form of thiamine iodide: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide 1.25-hydrate

S.-Q. Li and N.-H. Hu

Formula: C₁₂H₁₇N₄OS⁺·I^-·1.25H₂O

Online 6 November 2010

 

Acta Cryst. (2010). C66, o585-o588  [ doi:10.1107/S0108270110044136 ]

N-{N-[2-(3,5-Difluorophenyl)acetyl]-(S)-alanyl}-(S)-phenylglycine tert-butyl ester (DAPT): an inhibitor of -secretase, revealing fine electronic and hydrogen-bonding features

A. Czerwinski, F. Valenzuela, P. Afonine, M. Dauter and Z. Dauter

Formula: C₂₃H₂₆F₂N₂O₄

Online 6 November 2010

 

Acta Cryst. (2010). C66, o589-o592  [ doi:10.1107/S0108270110040825 ]

1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one: a three-dimensional framework structure built from N-HN, C-HO and C-H(arene) hydrogen bonds

F. Cuenú, R. Abonía, J. Cobo and C. Glidewell

Formula: C₁₄H₁₂N₂O

Online 6 November 2010

 

Acta Cryst. (2010). C66, o593-o595  [ doi:10.1107/S0108270110045099 ]

Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium chloride

J. Gutierrez, R. Eisenberg, G. Herrensmith, T. Tobin, T. Li and S. Long

Formula: Two polymorphs of C₁₂H₁₇N₂OS⁺·Cl^-

Online 6 November 2010

 

Acta Cryst. (2010). C66, o596-o599  [ doi:10.1107/S0108270110044926 ]

5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate

Y.-B. Lu, P. Yang, W.-N. Huang, Y.-N. Yang and J.-Z. Wu

Formula: C₈H₆O₄ and C₁₄H₁₀N₂O₃

Online 6 November 2010

 

Acta Cryst. (2010). C66, o600-o605  [ doi:10.1107/S0108270110041843 ]

Four novel spirooxazacamphorsultam derivatives

B. I. Wilke, A. K. Goodenough, C. C. Bausch, E. N. Cline, M. L. Abrams, E. L. Fayer, D. C. Swenson and D. M. Cermak

Formula: C₁₂H₁₇NO₄S, C₁₃H₁₉NO₄S, C₁₂H₁₉NO₄S and C₁₃H₂₁NO₄S

Online 9 November 2010

 

Acta Cryst. (2010). C66, o606-o608  [ doi:10.1107/S0108270110046913 ]

5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons

V. Langer and K. Lundquist

Formula: C₁₆H₁₈O₆

Online 19 November 2010

 

Acta Cryst. (2010). C66, o609-o613  [ doi:10.1107/S010827011004672X ]

Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate

G. Smith and U. D. Wermuth

Formula: C₆H₁₃N₂O⁺·C₆H₂N₃O₇^- and C₆H₁₃N₂O⁺·C₇H₃N₂O₇^-

Online 19 November 2010

 

Acta Cryst. (2010). C66, o614-o618  [ doi:10.1107/S0108270110045750 ]

Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid

G. Smith and U. D. Wermuth

Formula: Three isomers of C₆H₁₃N₂O⁺·C₇H₄NO₄^-, and C₆H₁₃N₂O⁺·C₇H₃N₂O₆^-

Online 19 November 2010

 

Acta Cryst. (2010). C66, o619-o622  [ doi:10.1107/S0108270110044549 ]

Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate

P. L. H. Verlooy, K. Robeyns, L. Van Meervelt, C. E. A. Kirschhock and J. A. Martens

Formula: 6C₁₃H₂₄N⁺·H₂Si₈O₂₀^6-·44H₂O

Online 19 November 2010

 

Acta Cryst. (2010). C66, o623-o626  [ doi:10.1107/S0108270110045725 ]

The m-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-m-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-tert-butylphenyl)-2,2'-m-phenylenedi-1,3-oxazole

J. Hübscher, M. Felsmann, W. Seichter and E. Weber

Formula: C₃₆H₂₄N₂O₂ and C₅₂H₅₆N₂O₂

Online 23 November 2010

 

Acta Cryst. (2010). C66, o627-o630  [ doi:10.1107/S0108270110044884 ]

2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid: a chain of edge-fused R₂²(8) and R₄⁴(20) rings built from O-HO and C-HO hydrogen bonds

F. Zuluaga, C. Grande, J. Cobo and C. Glidewell

Formula: C₁₇H₃₂O₂S₃

Online 24 November 2010