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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...

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Autores principales: Kannan, Piskala Subburaman, Lanka, Srinu, Thennarasu, Sathiah, Vimala, Gopal, SubbiahPandi, Arunachalathevar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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].
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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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