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Redetermination of 4-nitrostilbene

Moreno-Fuquen, R. and Aguirre, L. and Kennedy, A.R. (2008) Redetermination of 4-nitrostilbene. Acta Crystallographica Section E: Structure Reports, 64. O2259-U1605. ISSN 1600-5368

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Abstract

In the title compound, C14H11NO2, the benzene rings are inclined to each other with a dihedral angle between their mean planes of 8.42 (6)°. The nitro group is almost coplanar with the attached benzene ring but is rotated about the C-N bond by 5.84 (12)°. This redetermination results in a crystal structure with significantly higher precision than the original determination [Hertel & Romer (1931). Z. Kristallogr. 76, 467-469], and the intermolecular interactions have been established. In the crystal structure, molecules are linked by C-HO hydrogen bonds to generate C(5), C(13) and edge-fused R33(28) rings.

Item type: Article
ID code: 19406
Keywords: single-crystal X-ray study, T = 123 K, mean (C–C) = 0.002 A°, R factor = 0.048, wR factor = 0.135, data-to-parameter ratio = 20.6., Chemistry, Materials Science(all), Chemistry(all), Condensed Matter Physics
Subjects: Science > Chemistry
Department: Faculty of Science > Pure and Applied Chemistry
Related URLs:
    Depositing user: Strathprints Administrator
    Date Deposited: 18 May 2010 15:36
    Last modified: 28 Mar 2014 05:17
    URI: http://strathprints.strath.ac.uk/id/eprint/19406

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