Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate

In the title compound, C(30)H(28)Cl(3)NO(5)S, the pyrrolidine ring adopts an envelope conformation (with the N atom as the flap) and the thia­zine ring is in a distorted chair conformation. The mol­ecular structure shows three intra­molecular C—H⋯O inter­actions leading to self-associated ring S(6)...

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Autores principales: Chitradevi, A., Athimoolam, S., Bahadur, S. Asath, Indumathi, S., Perumal, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648240/
https://www.ncbi.nlm.nih.gov/pubmed/23723860
http://dx.doi.org/10.1107/S1600536813009148
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author Chitradevi, A.
Athimoolam, S.
Bahadur, S. Asath
Indumathi, S.
Perumal, S.
author_facet Chitradevi, A.
Athimoolam, S.
Bahadur, S. Asath
Indumathi, S.
Perumal, S.
author_sort Chitradevi, A.
collection PubMed
description In the title compound, C(30)H(28)Cl(3)NO(5)S, the pyrrolidine ring adopts an envelope conformation (with the N atom as the flap) and the thia­zine ring is in a distorted chair conformation. The mol­ecular structure shows three intra­molecular C—H⋯O inter­actions leading to self-associated ring S(6) and two S(7) motifs. In the crystal, the molecules are linked by C—H⋯O and C—H⋯Cl inter­actions. Two R (2) (2)(10) and one R (2) (2)(16) centrosymmetrically related ring motifs are observed in the unit cell and they are connected through C(6) and C(11) chain motifs extending along the b and c axes, respectively.
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spelling pubmed-36482402013-05-30 Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate Chitradevi, A. Athimoolam, S. Bahadur, S. Asath Indumathi, S. Perumal, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(30)H(28)Cl(3)NO(5)S, the pyrrolidine ring adopts an envelope conformation (with the N atom as the flap) and the thia­zine ring is in a distorted chair conformation. The mol­ecular structure shows three intra­molecular C—H⋯O inter­actions leading to self-associated ring S(6) and two S(7) motifs. In the crystal, the molecules are linked by C—H⋯O and C—H⋯Cl inter­actions. Two R (2) (2)(10) and one R (2) (2)(16) centrosymmetrically related ring motifs are observed in the unit cell and they are connected through C(6) and C(11) chain motifs extending along the b and c axes, respectively. International Union of Crystallography 2013-04-13 /pmc/articles/PMC3648240/ /pubmed/23723860 http://dx.doi.org/10.1107/S1600536813009148 Text en © Chitradevi et al. 2013 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
Chitradevi, A.
Athimoolam, S.
Bahadur, S. Asath
Indumathi, S.
Perumal, S.
Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title_full Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title_fullStr Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title_full_unstemmed Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title_short Ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
title_sort ethyl 3-(4-chloro­benzo­yl)-1-(4-chloro­benz­yl)-4-(4-chloro­phen­yl)-2,2-dioxo-3,4,6,7,8,8a-hexa­hydro-1h-pyrrolo­[2,1-c][1,4]thia­zine-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648240/
https://www.ncbi.nlm.nih.gov/pubmed/23723860
http://dx.doi.org/10.1107/S1600536813009148
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