Cargando…
Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate
In the title solvate, C(29)H(30)N(2)O(3)·CHCl(3), the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methylpyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998463/ https://www.ncbi.nlm.nih.gov/pubmed/24765058 http://dx.doi.org/10.1107/S1600536814004073 |
_version_ | 1782313367304667136 |
---|---|
author | Karthikeyan, S. Narayanan, P. Sethusankar, K. Devaraj, Anthonisamy Bakthadoss, Manickam |
author_facet | Karthikeyan, S. Narayanan, P. Sethusankar, K. Devaraj, Anthonisamy Bakthadoss, Manickam |
author_sort | Karthikeyan, S. |
collection | PubMed |
description | In the title solvate, C(29)H(30)N(2)O(3)·CHCl(3), the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methylpyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94 (11) and 42.08 (9)° with the phenyl and dimethylbenzene rings, respectively. The molecular conformation is stabilized by intramolecular C—H⋯O hydrogen bonds, which generate S(6) and S(9) ring motifs. The chloroform solvent molecule is linked to the organic molecule by a C—H⋯O hydrogen bond involving the carbonyl O atom of the carboxylate group. In the crystal, molecules are linked via bifurcated N—H⋯(N,O) and C—H⋯O hydrogen bonds, forming chains propagating along [001]. |
format | Online Article Text |
id | pubmed-3998463 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984632014-04-24 Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate Karthikeyan, S. Narayanan, P. Sethusankar, K. Devaraj, Anthonisamy Bakthadoss, Manickam Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvate, C(29)H(30)N(2)O(3)·CHCl(3), the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methylpyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94 (11) and 42.08 (9)° with the phenyl and dimethylbenzene rings, respectively. The molecular conformation is stabilized by intramolecular C—H⋯O hydrogen bonds, which generate S(6) and S(9) ring motifs. The chloroform solvent molecule is linked to the organic molecule by a C—H⋯O hydrogen bond involving the carbonyl O atom of the carboxylate group. In the crystal, molecules are linked via bifurcated N—H⋯(N,O) and C—H⋯O hydrogen bonds, forming chains propagating along [001]. International Union of Crystallography 2014-02-28 /pmc/articles/PMC3998463/ /pubmed/24765058 http://dx.doi.org/10.1107/S1600536814004073 Text en © Karthikeyan et al. 2014 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 | Organic Papers Karthikeyan, S. Narayanan, P. Sethusankar, K. Devaraj, Anthonisamy Bakthadoss, Manickam Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title | Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title_full | Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title_fullStr | Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title_full_unstemmed | Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title_short | Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
title_sort | methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998463/ https://www.ncbi.nlm.nih.gov/pubmed/24765058 http://dx.doi.org/10.1107/S1600536814004073 |
work_keys_str_mv | AT karthikeyans methyl325dimethylbenzyl1methyl2oxo4phenylspiroindoline32pyrrolidine3carboxylatechloroformmonosolvate AT narayananp methyl325dimethylbenzyl1methyl2oxo4phenylspiroindoline32pyrrolidine3carboxylatechloroformmonosolvate AT sethusankark methyl325dimethylbenzyl1methyl2oxo4phenylspiroindoline32pyrrolidine3carboxylatechloroformmonosolvate AT devarajanthonisamy methyl325dimethylbenzyl1methyl2oxo4phenylspiroindoline32pyrrolidine3carboxylatechloroformmonosolvate AT bakthadossmanickam methyl325dimethylbenzyl1methyl2oxo4phenylspiroindoline32pyrrolidine3carboxylatechloroformmonosolvate |