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Ethyl (E)-2-cyano-3-(4-methyl-phen-yl)acrylate: a second monoclinic polymorph.

ABSTRACT: The title compound, C13H13NO2, was previously described in space group P21/c by He et al. [Acta Cryst. (1993), C49, 2000-2002]. The ethyl group is disordered over two sets of sites in a 0.615?(10):0.385?(10) ratio. The C-O-C-C torsion angles containing the ethyl group are -111.6?(10) and 177.9?(7)°, while in the previously reported polymorph, the torsion angle is -167.3?(2)°. The molecules pack to form a three-dimensional structure in the ABAB style along the c-axis direction in the title compound, but parallel to the a-axis direction in the reported polymorph.

SUBMITTER: Chen QY 

PROVIDER: S-EPMC3648277 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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Ethyl (E)-2-cyano-3-(4-methyl-phen-yl)acrylate: a second monoclinic polymorph.

Chen Qi-Yu QY   Ke Wen-Dong WD   Kong Lin L  

Acta crystallographica. Section E, Structure reports online 20130417 Pt 5

The title compound, C13H13NO2, was previously described in space group P21/c by He et al. [Acta Cryst. (1993), C49, 2000-2002]. The ethyl group is disordered over two sets of sites in a 0.615 (10):0.385 (10) ratio. The C-O-C-C torsion angles containing the ethyl group are -111.6 (10) and 177.9 (7)°, while in the previously reported polymorph, the torsion angle is -167.3 (2)°. The molecules pack to form a three-dimensional structure in the ABAB style along the c-axis direction in the title compou  ...[more]

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