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Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate
The title compound, C(23)H(22)N(2)O(4)S, crystallized with two independent molecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the C(spiro)—C(spiro) bond, in both molecules. In molecule A, the mean planes of...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350727/ https://www.ncbi.nlm.nih.gov/pubmed/25844222 http://dx.doi.org/10.1107/S2056989015001528 |
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author | Raja, R. Govindaraj, J. Suresh, M. Raghunathan, R. SubbiahPandi, A. |
author_facet | Raja, R. Govindaraj, J. Suresh, M. Raghunathan, R. SubbiahPandi, A. |
author_sort | Raja, R. |
collection | PubMed |
description | The title compound, C(23)H(22)N(2)O(4)S, crystallized with two independent molecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the C(spiro)—C(spiro) bond, in both molecules. In molecule A, the mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in molecule B are 87.15 (10), 84.58 (10) and 72.07 (7)°, respectively. In the crystal, the A and B molecules are linked to one another by two N—H⋯O hydrogen bonds, forming a dimer. These dimers are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4350727 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507272015-04-03 Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate Raja, R. Govindaraj, J. Suresh, M. Raghunathan, R. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(23)H(22)N(2)O(4)S, crystallized with two independent molecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the C(spiro)—C(spiro) bond, in both molecules. In molecule A, the mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in molecule B are 87.15 (10), 84.58 (10) and 72.07 (7)°, respectively. In the crystal, the A and B molecules are linked to one another by two N—H⋯O hydrogen bonds, forming a dimer. These dimers are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. International Union of Crystallography 2015-02-07 /pmc/articles/PMC4350727/ /pubmed/25844222 http://dx.doi.org/10.1107/S2056989015001528 Text en © Raja 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 Raja, R. Govindaraj, J. Suresh, M. Raghunathan, R. SubbiahPandi, A. Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title | Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title_full | Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title_fullStr | Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title_short | Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
title_sort | crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3h-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350727/ https://www.ncbi.nlm.nih.gov/pubmed/25844222 http://dx.doi.org/10.1107/S2056989015001528 |
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