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Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate
In the title compound, C(25)H(23)FN(2)O(4)S, the fused piperidine ring of the octahydroindolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N—C(spiro) bond. The mean planes of the benzothiophene and indoline ring systems are inclined to...
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/PMC4350745/ https://www.ncbi.nlm.nih.gov/pubmed/25844224 http://dx.doi.org/10.1107/S2056989015002121 |
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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 | In the title compound, C(25)H(23)FN(2)O(4)S, the fused piperidine ring of the octahydroindolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N—C(spiro) bond. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 83.1 (1) and 84.9 (1)°, respectively, and to each other by 29.37 (17)°. In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via C—H⋯O hydrogen bonds, forming slabs lying parallel to (100). The packing between the slabs features a short [2.734 (2) Å] F⋯F contact. |
format | Online Article Text |
id | pubmed-4350745 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507452015-04-03 Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate Raja, R. Govindaraj, J. Suresh, M. Raghunathan, R. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(25)H(23)FN(2)O(4)S, the fused piperidine ring of the octahydroindolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N—C(spiro) bond. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 83.1 (1) and 84.9 (1)°, respectively, and to each other by 29.37 (17)°. In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via C—H⋯O hydrogen bonds, forming slabs lying parallel to (100). The packing between the slabs features a short [2.734 (2) Å] F⋯F contact. International Union of Crystallography 2015-02-07 /pmc/articles/PMC4350745/ /pubmed/25844224 http://dx.doi.org/10.1107/S2056989015002121 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 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title | Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title_full | Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title_fullStr | Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title_short | Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
title_sort | crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a’-tetrahydro-2′h,3h,5′h-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350745/ https://www.ncbi.nlm.nih.gov/pubmed/25844224 http://dx.doi.org/10.1107/S2056989015002121 |
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