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Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate

In the title compound, C(33)H(23)ClN(4)O(3)S·CHCl(3), the thia­zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia­zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71...

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Autores principales: Sivakumar, Nithya, Viswanathan, Vijayan, Rao, Jonnalagadda Naga Siva, Raghunathan, Raghavachary, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257185/
https://www.ncbi.nlm.nih.gov/pubmed/25484701
http://dx.doi.org/10.1107/S1600536814020601
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author Sivakumar, Nithya
Viswanathan, Vijayan
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
author_facet Sivakumar, Nithya
Viswanathan, Vijayan
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
author_sort Sivakumar, Nithya
collection PubMed
description In the title compound, C(33)H(23)ClN(4)O(3)S·CHCl(3), the thia­zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia­zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71.67 (1)° with the chromene ring and 82.59 (1)° with the chloro­benzene ring. An intra­molecular C—H⋯N hydrogen bond occurs. In the crystal, a second C—H⋯N hydrogen bond links the main and solvent mol­ecules. The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).
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spelling pubmed-42571852014-12-05 Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate Sivakumar, Nithya Viswanathan, Vijayan Rao, Jonnalagadda Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(33)H(23)ClN(4)O(3)S·CHCl(3), the thia­zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia­zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71.67 (1)° with the chromene ring and 82.59 (1)° with the chloro­benzene ring. An intra­molecular C—H⋯N hydrogen bond occurs. In the crystal, a second C—H⋯N hydrogen bond links the main and solvent mol­ecules. The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14). International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257185/ /pubmed/25484701 http://dx.doi.org/10.1107/S1600536814020601 Text en © Sivakumar 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 Data Reports
Sivakumar, Nithya
Viswanathan, Vijayan
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title_full Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title_fullStr Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title_full_unstemmed Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title_short Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
title_sort crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257185/
https://www.ncbi.nlm.nih.gov/pubmed/25484701
http://dx.doi.org/10.1107/S1600536814020601
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