Cargando…

Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione

In the title di­spiro compound, C(32)H(26)ClN(3)O(2), the cyclo­hexa­none ring of the iso­quinoline unit has a distorted envelope conformation, with the methyl­ene C atom adjacent to the spiro C atom as the flap. The central 1-methyl­pyrrolidine ring has an envelope conformation with the N atom as t...

Descripción completa

Detalles Bibliográficos
Autores principales: Vishnupriya, R., Selva Meenatchi, C., Suresh, J., Sumesh, R. V., Kumar, R. Ranjith, Lakshman, P. L. Nilantha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947482/
https://www.ncbi.nlm.nih.gov/pubmed/29850086
http://dx.doi.org/10.1107/S2056989018005455
_version_ 1783322376379826176
author Vishnupriya, R.
Selva Meenatchi, C.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
author_facet Vishnupriya, R.
Selva Meenatchi, C.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
author_sort Vishnupriya, R.
collection PubMed
description In the title di­spiro compound, C(32)H(26)ClN(3)O(2), the cyclo­hexa­none ring of the iso­quinoline unit has a distorted envelope conformation, with the methyl­ene C atom adjacent to the spiro C atom as the flap. The central 1-methyl­pyrrolidine ring has an envelope conformation with the N atom as the flap. The mean planes of the indolin-2-one ring system, the chloro­benzene ring and the iso­quinoline ring system are inclined to the mean plane of the central 1-methyl­pyrrolidine ring by 87.95 (11), 71.01 (12) and 88.81 (10)°, respectively. There are two short C—H⋯O intra­molecular contacts present. In the crystal, mol­ecules are linked via C—H⋯ O hydrogen bonds, forming chains along the a-axis direction. The NH H atom is involved in a weak N—H⋯O hydrogen bond with the same carbonyl O atom. There are no further significant inter­molecular contacts present. The largest contribution to the overall Hirshfeld surface of 52.3% is due to H—H contacts.
format Online
Article
Text
id pubmed-5947482
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-59474822018-05-30 Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione Vishnupriya, R. Selva Meenatchi, C. Suresh, J. Sumesh, R. V. Kumar, R. Ranjith Lakshman, P. L. Nilantha Acta Crystallogr E Crystallogr Commun Research Communications In the title di­spiro compound, C(32)H(26)ClN(3)O(2), the cyclo­hexa­none ring of the iso­quinoline unit has a distorted envelope conformation, with the methyl­ene C atom adjacent to the spiro C atom as the flap. The central 1-methyl­pyrrolidine ring has an envelope conformation with the N atom as the flap. The mean planes of the indolin-2-one ring system, the chloro­benzene ring and the iso­quinoline ring system are inclined to the mean plane of the central 1-methyl­pyrrolidine ring by 87.95 (11), 71.01 (12) and 88.81 (10)°, respectively. There are two short C—H⋯O intra­molecular contacts present. In the crystal, mol­ecules are linked via C—H⋯ O hydrogen bonds, forming chains along the a-axis direction. The NH H atom is involved in a weak N—H⋯O hydrogen bond with the same carbonyl O atom. There are no further significant inter­molecular contacts present. The largest contribution to the overall Hirshfeld surface of 52.3% is due to H—H contacts. International Union of Crystallography 2018-04-12 /pmc/articles/PMC5947482/ /pubmed/29850086 http://dx.doi.org/10.1107/S2056989018005455 Text en © Vishnupriya et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Vishnupriya, R.
Selva Meenatchi, C.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title_full Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title_fullStr Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title_short Crystal structure and Hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′H-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
title_sort crystal structure and hirshfeld surface analysis of 4′-(2-chloro­phen­yl)-1′-methyl-3′′-phenyl-7′′,8′′-di­hydro-5′′h-di­spiro­[indoline-3,2′-pyrrolidine-3′,6′′-iso­quinoline]-2,5′′-dione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947482/
https://www.ncbi.nlm.nih.gov/pubmed/29850086
http://dx.doi.org/10.1107/S2056989018005455
work_keys_str_mv AT vishnupriyar crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione
AT selvameenatchic crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione
AT sureshj crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione
AT sumeshrv crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione
AT kumarrranjith crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione
AT lakshmanplnilantha crystalstructureandhirshfeldsurfaceanalysisof42chlorophenyl1methyl3phenyl78dihydro5hdispiroindoline32pyrrolidine36isoquinoline25dione