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Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
The title compound, C(22)H(20)N(4)O(3)S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzothiazine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetat...
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/PMC4719958/ https://www.ncbi.nlm.nih.gov/pubmed/26870477 http://dx.doi.org/10.1107/S2056989015022987 |
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author | Ellouz, M. Sebbar, N. K. Essassi, E. M. Ouzidan, Y. Mague, J. T. |
author_facet | Ellouz, M. Sebbar, N. K. Essassi, E. M. Ouzidan, Y. Mague, J. T. |
author_sort | Ellouz, M. |
collection | PubMed |
description | The title compound, C(22)H(20)N(4)O(3)S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzothiazine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the molecule as the C(6) ring of the fused-ring system, may be partially established by a pair of weak intramolecular C—H⋯O(carbonyl) interactions. The three-dimensional packing is aided by intermolecular C—H⋯O and C—H⋯N interactions. |
format | Online Article Text |
id | pubmed-4719958 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199582016-02-11 Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate Ellouz, M. Sebbar, N. K. Essassi, E. M. Ouzidan, Y. Mague, J. T. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(22)H(20)N(4)O(3)S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzothiazine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the molecule as the C(6) ring of the fused-ring system, may be partially established by a pair of weak intramolecular C—H⋯O(carbonyl) interactions. The three-dimensional packing is aided by intermolecular C—H⋯O and C—H⋯N interactions. International Union of Crystallography 2015-12-06 /pmc/articles/PMC4719958/ /pubmed/26870477 http://dx.doi.org/10.1107/S2056989015022987 Text en © Ellouz 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 Ellouz, M. Sebbar, N. K. Essassi, E. M. Ouzidan, Y. Mague, J. T. Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title | Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_full | Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_fullStr | Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_full_unstemmed | Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_short | Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_sort | crystal structure of (z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1h-1,2,3-triazol-1-yl}acetate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719958/ https://www.ncbi.nlm.nih.gov/pubmed/26870477 http://dx.doi.org/10.1107/S2056989015022987 |
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