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Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide
In the molecule of the title compound, C(15)H(18)N(2)OS(2), the central S(2)C=C(CN)C moiety is planar (r.m.s. deviation = 0.029 Å). The C=O and C—CN groups are trans to each other across their common C—C bond. In the crystal, one classical and two ‘weak’ hydrogen bonds combine with borderline N⋯N a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418798/ https://www.ncbi.nlm.nih.gov/pubmed/28529790 http://dx.doi.org/10.1107/S2056989017005783 |
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author | Azzam, Rasha A. Elgemeie, Galal H. Ramadan, Rokia Jones, Peter G. |
author_facet | Azzam, Rasha A. Elgemeie, Galal H. Ramadan, Rokia Jones, Peter G. |
author_sort | Azzam, Rasha A. |
collection | PubMed |
description | In the molecule of the title compound, C(15)H(18)N(2)OS(2), the central S(2)C=C(CN)C moiety is planar (r.m.s. deviation = 0.029 Å). The C=O and C—CN groups are trans to each other across their common C—C bond. In the crystal, one classical and two ‘weak’ hydrogen bonds combine with borderline N⋯N and S⋯S contacts to form layers parallel to (10-2). One ethyl group is disordered over two positions with relative occupancy 0.721/0.279 (7). |
format | Online Article Text |
id | pubmed-5418798 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54187982017-05-19 Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide Azzam, Rasha A. Elgemeie, Galal H. Ramadan, Rokia Jones, Peter G. Acta Crystallogr E Crystallogr Commun Research Communications In the molecule of the title compound, C(15)H(18)N(2)OS(2), the central S(2)C=C(CN)C moiety is planar (r.m.s. deviation = 0.029 Å). The C=O and C—CN groups are trans to each other across their common C—C bond. In the crystal, one classical and two ‘weak’ hydrogen bonds combine with borderline N⋯N and S⋯S contacts to form layers parallel to (10-2). One ethyl group is disordered over two positions with relative occupancy 0.721/0.279 (7). International Union of Crystallography 2017-04-28 /pmc/articles/PMC5418798/ /pubmed/28529790 http://dx.doi.org/10.1107/S2056989017005783 Text en © Azzam et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Azzam, Rasha A. Elgemeie, Galal H. Ramadan, Rokia Jones, Peter G. Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title | Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title_full | Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title_fullStr | Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title_full_unstemmed | Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title_short | Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide |
title_sort | crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-n-o-tolylacrylamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418798/ https://www.ncbi.nlm.nih.gov/pubmed/28529790 http://dx.doi.org/10.1107/S2056989017005783 |
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