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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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). |
format | Online Article Text |
id | pubmed-4257185 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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