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Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate
In the title compound, C(38)H(32)N(4)O(3)·H(2)O, the quinoxaline–indene and pyrrolizine systems are essentially planar, with maximum deviations from their mean planes of 0.162 and 0.563 Å, respectively. The pyrrolizine ring forms dihedral angles of 88.53 (5) and 89.95 (8)° with the quinoxaline–inden...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684937/ https://www.ncbi.nlm.nih.gov/pubmed/23795039 http://dx.doi.org/10.1107/S1600536813011537 |
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author | Kannan, Piskala Subburaman Lanka, Srinu Thennarasu, Sathiah Vimala, Gopal SubbiahPandi, Arunachalathevar |
author_facet | Kannan, Piskala Subburaman Lanka, Srinu Thennarasu, Sathiah Vimala, Gopal SubbiahPandi, Arunachalathevar |
author_sort | Kannan, Piskala Subburaman |
collection | PubMed |
description | In the title compound, C(38)H(32)N(4)O(3)·H(2)O, the quinoxaline–indene and pyrrolizine systems are essentially planar, with maximum deviations from their mean planes of 0.162 and 0.563 Å, respectively. The pyrrolizine ring forms dihedral angles of 88.53 (5) and 89.95 (8)° with the quinoxaline–indene system and the indoline ring, respectively. The central pyrrolidine ring has an envelope conformation with the C atom bearing the quinoxaline-indene system as the flap. The pyrrolidine ring of the indole system adopts an envelope conformation with the C atom bonded to the pyrrolizine ring N atom as the flap. The five-membered ring attached to the central pyrolidine ring adopts a twisted conformation. In the crystal, O—H⋯N and O—H⋯O hydrogen bonds between water molecules and pyrrolizine N and carbonyl O atoms together with C—H⋯O interactions result in chains along [100]. |
format | Online Article Text |
id | pubmed-3684937 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36849372013-06-21 Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate Kannan, Piskala Subburaman Lanka, Srinu Thennarasu, Sathiah Vimala, Gopal SubbiahPandi, Arunachalathevar Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(38)H(32)N(4)O(3)·H(2)O, the quinoxaline–indene and pyrrolizine systems are essentially planar, with maximum deviations from their mean planes of 0.162 and 0.563 Å, respectively. The pyrrolizine ring forms dihedral angles of 88.53 (5) and 89.95 (8)° with the quinoxaline–indene system and the indoline ring, respectively. The central pyrrolidine ring has an envelope conformation with the C atom bearing the quinoxaline-indene system as the flap. The pyrrolidine ring of the indole system adopts an envelope conformation with the C atom bonded to the pyrrolizine ring N atom as the flap. The five-membered ring attached to the central pyrolidine ring adopts a twisted conformation. In the crystal, O—H⋯N and O—H⋯O hydrogen bonds between water molecules and pyrrolizine N and carbonyl O atoms together with C—H⋯O interactions result in chains along [100]. International Union of Crystallography 2013-05-11 /pmc/articles/PMC3684937/ /pubmed/23795039 http://dx.doi.org/10.1107/S1600536813011537 Text en © Kannan 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 Kannan, Piskala Subburaman Lanka, Srinu Thennarasu, Sathiah Vimala, Gopal SubbiahPandi, Arunachalathevar Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title | Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title_full | Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title_fullStr | Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title_full_unstemmed | Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title_short | Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
title_sort | ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexahydro-1′h-dispiro[indeno[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxylate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684937/ https://www.ncbi.nlm.nih.gov/pubmed/23795039 http://dx.doi.org/10.1107/S1600536813011537 |
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