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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...

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Autores principales: Raja, R., Govindaraj, J., Suresh, M., Raghunathan, R., SubbiahPandi, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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