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Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one

In the title spiro compound, C(34)H(30)N(2)O(3), the central pyrrolidine ring is fused with the tetra­hydro­iso­quinoline ring, both having distorted envelope conformations, with the flap atoms being C and N, respectively. The meth­oxy­phenyl group is attached to the pyrrolidine ring, and is disorde...

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Autores principales: Selvaraj, Janet Priyavathani, Mary, Stella, Dhruba, Jyoti Boruah, Huidrom, Birkumar Singh, Panneerselvam, Yuvaraj, Piskala Subburaman, Kannan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534224/
https://www.ncbi.nlm.nih.gov/pubmed/33117561
http://dx.doi.org/10.1107/S2056989020010300
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author Selvaraj, Janet Priyavathani
Mary, Stella
Dhruba, Jyoti Boruah
Huidrom, Birkumar Singh
Panneerselvam, Yuvaraj
Piskala Subburaman, Kannan
author_facet Selvaraj, Janet Priyavathani
Mary, Stella
Dhruba, Jyoti Boruah
Huidrom, Birkumar Singh
Panneerselvam, Yuvaraj
Piskala Subburaman, Kannan
author_sort Selvaraj, Janet Priyavathani
collection PubMed
description In the title spiro compound, C(34)H(30)N(2)O(3), the central pyrrolidine ring is fused with the tetra­hydro­iso­quinoline ring, both having distorted envelope conformations, with the flap atoms being C and N, respectively. The meth­oxy­phenyl group is attached to the pyrrolidine ring, and is disordered over two positions, with refined occupancies of 0.638 (6):0.362 (6) Å. The central pyrrolidine ring is inclined relative to the tetra­hydro­iso­quinoline group, such that the dihedral between the non-flap atoms of each ring system is 11.29 (7)°. The spiro-linkage creates a dihedral angle of 83.26 (5)° between the indolinone ring and the non-flap atoms of the pyrrolidine ring. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds. For the major disorder component, these form C(11) chains that propagate parallel to the a axis.
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spelling pubmed-75342242020-10-27 Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one Selvaraj, Janet Priyavathani Mary, Stella Dhruba, Jyoti Boruah Huidrom, Birkumar Singh Panneerselvam, Yuvaraj Piskala Subburaman, Kannan Acta Crystallogr E Crystallogr Commun Research Communications In the title spiro compound, C(34)H(30)N(2)O(3), the central pyrrolidine ring is fused with the tetra­hydro­iso­quinoline ring, both having distorted envelope conformations, with the flap atoms being C and N, respectively. The meth­oxy­phenyl group is attached to the pyrrolidine ring, and is disordered over two positions, with refined occupancies of 0.638 (6):0.362 (6) Å. The central pyrrolidine ring is inclined relative to the tetra­hydro­iso­quinoline group, such that the dihedral between the non-flap atoms of each ring system is 11.29 (7)°. The spiro-linkage creates a dihedral angle of 83.26 (5)° between the indolinone ring and the non-flap atoms of the pyrrolidine ring. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds. For the major disorder component, these form C(11) chains that propagate parallel to the a axis. International Union of Crystallography 2020-09-04 /pmc/articles/PMC7534224/ /pubmed/33117561 http://dx.doi.org/10.1107/S2056989020010300 Text en © Selvaraj et al. 2020 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Selvaraj, Janet Priyavathani
Mary, Stella
Dhruba, Jyoti Boruah
Huidrom, Birkumar Singh
Panneerselvam, Yuvaraj
Piskala Subburaman, Kannan
Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title_full Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title_fullStr Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title_full_unstemmed Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title_short Crystal structure of (1′S,2′S,3S)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′H-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
title_sort crystal structure of (1′s,2′s,3s)-1′-benzoyl-2′-(4-meth­oxy­phen­yl)-1-methyl-2′,5′,6′,10b′-tetra­hydro-1′h-spiro­[indoline-3,3′-pyrrolo­[2,1-a]isoquinolin]-2-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534224/
https://www.ncbi.nlm.nih.gov/pubmed/33117561
http://dx.doi.org/10.1107/S2056989020010300
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