Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate

In the title compound, C(35)H(27)N(3)O(3)S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo­thio­phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the...

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Autores principales: Govindaraj, J., Raja, R., Suresh, M., Raghunathan, R., SubbiahPandi, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350717/
https://www.ncbi.nlm.nih.gov/pubmed/25844245
http://dx.doi.org/10.1107/S2056989015003187
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author Govindaraj, J.
Raja, R.
Suresh, M.
Raghunathan, R.
SubbiahPandi, A.
author_facet Govindaraj, J.
Raja, R.
Suresh, M.
Raghunathan, R.
SubbiahPandi, A.
author_sort Govindaraj, J.
collection PubMed
description In the title compound, C(35)H(27)N(3)O(3)S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo­thio­phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo­thio­phene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, mol­ecules are linked by C—H⋯O, C—H⋯N and π–π inter­actions [shortest centroid–centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network.
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spelling pubmed-43507172015-04-03 Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate Govindaraj, J. Raja, R. Suresh, M. Raghunathan, R. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(35)H(27)N(3)O(3)S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo­thio­phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo­thio­phene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, mol­ecules are linked by C—H⋯O, C—H⋯N and π–π inter­actions [shortest centroid–centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network. International Union of Crystallography 2015-02-21 /pmc/articles/PMC4350717/ /pubmed/25844245 http://dx.doi.org/10.1107/S2056989015003187 Text en © Govindaraj et al. 2015 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
Govindaraj, J.
Raja, R.
Suresh, M.
Raghunathan, R.
SubbiahPandi, A.
Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title_full Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title_fullStr Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title_short Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
title_sort crystal structure of ethyl (2s,2′r)-1′-benzyl-3-oxo-3h-di­spiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350717/
https://www.ncbi.nlm.nih.gov/pubmed/25844245
http://dx.doi.org/10.1107/S2056989015003187
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