Cargando…
Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
In the title compound, C(15)H(16)N(4)O(3)S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11)°. The mean plane formed by t...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998284/ https://www.ncbi.nlm.nih.gov/pubmed/24764845 http://dx.doi.org/10.1107/S1600536813034697 |
_version_ | 1782313328317562880 |
---|---|
author | Sebbar, Nada Kheira Zerzouf, Abdelfettah Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen |
author_facet | Sebbar, Nada Kheira Zerzouf, Abdelfettah Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen |
author_sort | Sebbar, Nada Kheira |
collection | PubMed |
description | In the title compound, C(15)H(16)N(4)O(3)S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11)°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)°]. In the crystal, molecules are linked by pairs of C—H⋯O interactions, forming dimeric aggregates. |
format | Online Article Text |
id | pubmed-3998284 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39982842014-04-24 Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate Sebbar, Nada Kheira Zerzouf, Abdelfettah Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(16)N(4)O(3)S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11)°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)°]. In the crystal, molecules are linked by pairs of C—H⋯O interactions, forming dimeric aggregates. International Union of Crystallography 2014-01-08 /pmc/articles/PMC3998284/ /pubmed/24764845 http://dx.doi.org/10.1107/S1600536813034697 Text en © Sebbar et al. 2014 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 Sebbar, Nada Kheira Zerzouf, Abdelfettah Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title | Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_full | Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_fullStr | Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_full_unstemmed | Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_short | Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate |
title_sort | ethyl 2-{5-[(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-4-yl)methyl]-1h-1,2,3-triazol-1-yl}acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998284/ https://www.ncbi.nlm.nih.gov/pubmed/24764845 http://dx.doi.org/10.1107/S1600536813034697 |
work_keys_str_mv | AT sebbarnadakheira ethyl253oxo34dihydro2h14benzothiazin4ylmethyl1h123triazol1ylacetate AT zerzoufabdelfettah ethyl253oxo34dihydro2h14benzothiazin4ylmethyl1h123triazol1ylacetate AT essassielmokhtar ethyl253oxo34dihydro2h14benzothiazin4ylmethyl1h123triazol1ylacetate AT saadimohamed ethyl253oxo34dihydro2h14benzothiazin4ylmethyl1h123triazol1ylacetate AT elammarilahcen ethyl253oxo34dihydro2h14benzothiazin4ylmethyl1h123triazol1ylacetate |