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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...

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Autores principales: Ellouz, M., Sebbar, N. K., Essassi, E. M., Ouzidan, Y., Mague, J. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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