Acta Crystallographica Section C

Crystal Structure Communications

Volume 66, Part 12 (December 2010)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The molecule of N-{N-[2-(3,5-difluorophenyl)acetyl]-(S)-alanyl}-(S)-phenylglycine tert-butyl ester (DAPT), showing the atom-labeling scheme. Displacement ellipsoids are drawn at the 50% probability level. See Czerwinski, Valenzuela, Afonine, Dauter & Dauter [Acta Cryst. (2010), C66, o585-o588].

inorganic compounds


 

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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


metal-organic compounds


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

Bis[S-benzyl-3-(4-n-octyloxybenzylidene)dithiocarbazato-[kappa]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


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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


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

Poly[[tetraaquadi-[mu]4-glutarato-[mu]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


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

catena-Poly[copper(II)-di-[mu]-acetylacetonato-copper(II)-bis([mu]-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


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

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


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

Poly[[([mu]2-biphenyl-2,4'-dicarboxylato)[[mu]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


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

A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-[kappa]2N,N')bis(biphenyl-2,4'-dicarboxylato-[kappa]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


organic compounds


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

Intermolecular C-F...H-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


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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


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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+·C8H10O42-, CH6N3+·C8H5O4-·H2O and 2CH6N3+·C8H4O42-·3H2O

Online 6 November 2010


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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


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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 [gamma]-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


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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-H...N, C-H...O and C-H...[pi](arene) hydrogen bonds

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

Formula: C14H12N2O

Online 6 November 2010


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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


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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


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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


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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


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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


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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


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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+·H2Si8O206-·44H2O

Online 19 November 2010


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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


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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-H...O and C-H...O hydrogen bonds

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

Formula: C17H32O2S3

Online 24 November 2010


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