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Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline]
The title compound, C(35)H(27)ClN(4)O(3), crystallized with two independent molecules (A and B) in the asymmetric unit. In both molecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclopentene rings differ in the tw...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362633/ https://www.ncbi.nlm.nih.gov/pubmed/30800462 http://dx.doi.org/10.1107/S2056989019000975 |
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author | Syed Abuthahir, S. NizamMohideen, M. Viswanathan, V. Velmurugan, D. Nagasivarao, J. |
author_facet | Syed Abuthahir, S. NizamMohideen, M. Viswanathan, V. Velmurugan, D. Nagasivarao, J. |
author_sort | Syed Abuthahir, S. |
collection | PubMed |
description | The title compound, C(35)H(27)ClN(4)O(3), crystallized with two independent molecules (A and B) in the asymmetric unit. In both molecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclopentene rings differ in the two molecules; twisted and flat, respectively, in molecule A, but envelope and twisted, respectively, in molecule B. In both molecules, there is a C—H⋯N intramolecular hydrogen bond present. In both molecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in molecule B. In the crystal, the B molecules are linked by C—H⋯O hydrogen bonds, forming –B–B–B– chains along [010], and by C—H⋯π interactions. The A and B molecules are also linked by a number of C—H⋯π interactions, resulting in the formation a supramolecular three-dimensional structure. In molecule A, the nitro group oxygen atoms are disordered over two positions with refined occupancy ratios of the nitro group oxygen atoms O3A and O4A in 0.59 (2):0.41 (2) while in molecule B one of the nitro O atoms is disordered over two positions with a refined occupancy ratio of 0.686 (13):0.314 (13) and the chlorine atoms is disordered over two positions with a refined occupancy ratio of 0.72 (3):0.28 (3). |
format | Online Article Text |
id | pubmed-6362633 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-63626332019-02-22 Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] Syed Abuthahir, S. NizamMohideen, M. Viswanathan, V. Velmurugan, D. Nagasivarao, J. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(35)H(27)ClN(4)O(3), crystallized with two independent molecules (A and B) in the asymmetric unit. In both molecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclopentene rings differ in the two molecules; twisted and flat, respectively, in molecule A, but envelope and twisted, respectively, in molecule B. In both molecules, there is a C—H⋯N intramolecular hydrogen bond present. In both molecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in molecule B. In the crystal, the B molecules are linked by C—H⋯O hydrogen bonds, forming –B–B–B– chains along [010], and by C—H⋯π interactions. The A and B molecules are also linked by a number of C—H⋯π interactions, resulting in the formation a supramolecular three-dimensional structure. In molecule A, the nitro group oxygen atoms are disordered over two positions with refined occupancy ratios of the nitro group oxygen atoms O3A and O4A in 0.59 (2):0.41 (2) while in molecule B one of the nitro O atoms is disordered over two positions with a refined occupancy ratio of 0.686 (13):0.314 (13) and the chlorine atoms is disordered over two positions with a refined occupancy ratio of 0.72 (3):0.28 (3). International Union of Crystallography 2019-01-25 /pmc/articles/PMC6362633/ /pubmed/30800462 http://dx.doi.org/10.1107/S2056989019000975 Text en © Syed Abuthahir et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Syed Abuthahir, S. NizamMohideen, M. Viswanathan, V. Velmurugan, D. Nagasivarao, J. Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title | Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title_full | Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title_fullStr | Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title_full_unstemmed | Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title_short | Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
title_sort | crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6h,7h-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362633/ https://www.ncbi.nlm.nih.gov/pubmed/30800462 http://dx.doi.org/10.1107/S2056989019000975 |
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