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Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate
There are two independent molecules (A and B) in the asymmetric unit of the title compound C(11)H(10)BrClO(2), which represents the Z isomer. The methylacrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in molecules A and B, respectively. The benzene ring makes dihedral an...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684935/ https://www.ncbi.nlm.nih.gov/pubmed/23795037 http://dx.doi.org/10.1107/S1600536813012117 |
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author | Swaminathan, K. Sethusankar, K. Selvakumar, Raman Bakthadoss, Manickam |
author_facet | Swaminathan, K. Sethusankar, K. Selvakumar, Raman Bakthadoss, Manickam |
author_sort | Swaminathan, K. |
collection | PubMed |
description | There are two independent molecules (A and B) in the asymmetric unit of the title compound C(11)H(10)BrClO(2), which represents the Z isomer. The methylacrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in molecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methylacrylate moiety in molecules A and B, respectively. The methylbromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in molecule A and 79.61 (16)° in molecule B. The methylacrylate moiety exhibits an extended trans conformation in both molecules. In the crystal, pairs of C—H⋯O hydrogen bonds result in the formation of quasi-centrosymmetric R (2) (2)(14) AB dimers. |
format | Online Article Text |
id | pubmed-3684935 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36849352013-06-21 Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate Swaminathan, K. Sethusankar, K. Selvakumar, Raman Bakthadoss, Manickam Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent molecules (A and B) in the asymmetric unit of the title compound C(11)H(10)BrClO(2), which represents the Z isomer. The methylacrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in molecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methylacrylate moiety in molecules A and B, respectively. The methylbromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in molecule A and 79.61 (16)° in molecule B. The methylacrylate moiety exhibits an extended trans conformation in both molecules. In the crystal, pairs of C—H⋯O hydrogen bonds result in the formation of quasi-centrosymmetric R (2) (2)(14) AB dimers. International Union of Crystallography 2013-05-11 /pmc/articles/PMC3684935/ /pubmed/23795037 http://dx.doi.org/10.1107/S1600536813012117 Text en © Swaminathan 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 Swaminathan, K. Sethusankar, K. Selvakumar, Raman Bakthadoss, Manickam Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title | Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title_full | Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title_fullStr | Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title_full_unstemmed | Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title_short | Methyl (2Z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
title_sort | methyl (2z)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684935/ https://www.ncbi.nlm.nih.gov/pubmed/23795037 http://dx.doi.org/10.1107/S1600536813012117 |
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