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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7534224 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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