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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...

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Autores principales: Syed Abuthahir, S., NizamMohideen, M., Viswanathan, V., Velmurugan, D., Nagasivarao, J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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).
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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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