Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph

The title compound, C(13)H(13)NO(2), was previously described in space group P2(1)/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...

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Detalles Bibliográficos
Autores principales: Chen, Qi-Yu, Ke, Wen-Dong, Kong, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648277/
https://www.ncbi.nlm.nih.gov/pubmed/23723897
http://dx.doi.org/10.1107/S1600536813009550
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author Chen, Qi-Yu
Ke, Wen-Dong
Kong, Lin
author_facet Chen, Qi-Yu
Ke, Wen-Dong
Kong, Lin
author_sort Chen, Qi-Yu
collection PubMed
description The title compound, C(13)H(13)NO(2), was previously described in space group P2(1)/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.
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spelling pubmed-36482772013-05-30 Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph Chen, Qi-Yu Ke, Wen-Dong Kong, Lin Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(13)NO(2), was previously described in space group P2(1)/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. International Union of Crystallography 2013-04-17 /pmc/articles/PMC3648277/ /pubmed/23723897 http://dx.doi.org/10.1107/S1600536813009550 Text en © Chen et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Chen, Qi-Yu
Ke, Wen-Dong
Kong, Lin
Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title_full Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title_fullStr Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title_full_unstemmed Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title_short Ethyl (E)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
title_sort ethyl (e)-2-cyano-3-(4-methyl­phen­yl)acrylate: a second monoclinic polymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648277/
https://www.ncbi.nlm.nih.gov/pubmed/23723897
http://dx.doi.org/10.1107/S1600536813009550
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AT kewendong ethyle2cyano34methylphenylacrylateasecondmonoclinicpolymorph
AT konglin ethyle2cyano34methylphenylacrylateasecondmonoclinicpolymorph

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