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Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
In the title compound, C(17)H(15)NO(2)S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H⋯O and...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331881/ https://www.ncbi.nlm.nih.gov/pubmed/25705485 http://dx.doi.org/10.1107/S2056989014026267 |
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| author | Vinayagam, V. Mohan Raj, J. Murugavel, S. Selvakumar, R. Bakthadoss, M. |
| author_facet | Vinayagam, V. Mohan Raj, J. Murugavel, S. Selvakumar, R. Bakthadoss, M. |
| author_sort | Vinayagam, V. |
| collection | PubMed |
| description | In the title compound, C(17)H(15)NO(2)S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link inverted-related molecules into dimers, incorporating R (1) (2)(6) and R (2) (2)(8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C—H⋯O hydrogen bonds, forming supramolecular tapes running along the a axis. |
| format | Online Article Text |
| id | pubmed-4331881 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-43318812015-02-20 Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one Vinayagam, V. Mohan Raj, J. Murugavel, S. Selvakumar, R. Bakthadoss, M. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(17)H(15)NO(2)S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link inverted-related molecules into dimers, incorporating R (1) (2)(6) and R (2) (2)(8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C—H⋯O hydrogen bonds, forming supramolecular tapes running along the a axis. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331881/ /pubmed/25705485 http://dx.doi.org/10.1107/S2056989014026267 Text en © Vinayagam et al. 2015 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 | Data Reports Vinayagam, V. Mohan Raj, J. Murugavel, S. Selvakumar, R. Bakthadoss, M. Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title | Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title_full | Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title_fullStr | Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title_full_unstemmed | Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title_short | Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| title_sort | crystal structure of (z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5h)-one |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331881/ https://www.ncbi.nlm.nih.gov/pubmed/25705485 http://dx.doi.org/10.1107/S2056989014026267 |
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