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10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione
The asymmetric unit of the title compound, C(26)H(25)ClN(2)O(3), contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914117/ https://www.ncbi.nlm.nih.gov/pubmed/24527024 http://dx.doi.org/10.1107/S1600536813034107 |
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author | Nagalakshmi, R.A. Suresh, J. Malathi, K. Kumar, R. Ranjith Lakshman, P. L. Nilantha |
author_facet | Nagalakshmi, R.A. Suresh, J. Malathi, K. Kumar, R. Ranjith Lakshman, P. L. Nilantha |
author_sort | Nagalakshmi, R.A. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(26)H(25)ClN(2)O(3), contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both molecules, the six-membered piperidin-3-one rings have chair conformations. In molecule A, all four five-membered rings have twist conformations. In molecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intramolecular O—H⋯N hydrogen bond occurs in each independent molecule while a C—H⋯O interaction is also observed in molecule A. In the crystal, pairs of O—H⋯O hydrogen bonds link the molecules, forming inversion dimers with graph-set motif R (2) (2)(12). These dimers are further interconnected by C—H⋯O and C—H⋯π interactions, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-3914117 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39141172014-02-13 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione Nagalakshmi, R.A. Suresh, J. Malathi, K. Kumar, R. Ranjith Lakshman, P. L. Nilantha Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(26)H(25)ClN(2)O(3), contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both molecules, the six-membered piperidin-3-one rings have chair conformations. In molecule A, all four five-membered rings have twist conformations. In molecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intramolecular O—H⋯N hydrogen bond occurs in each independent molecule while a C—H⋯O interaction is also observed in molecule A. In the crystal, pairs of O—H⋯O hydrogen bonds link the molecules, forming inversion dimers with graph-set motif R (2) (2)(12). These dimers are further interconnected by C—H⋯O and C—H⋯π interactions, forming a three-dimensional network. International Union of Crystallography 2013-12-24 /pmc/articles/PMC3914117/ /pubmed/24527024 http://dx.doi.org/10.1107/S1600536813034107 Text en © Nagalakshmi 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 Nagalakshmi, R.A. Suresh, J. Malathi, K. Kumar, R. Ranjith Lakshman, P. L. Nilantha 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title_full | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title_fullStr | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title_full_unstemmed | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title_short | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
title_sort | 10-(4-chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5h-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7h,11h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914117/ https://www.ncbi.nlm.nih.gov/pubmed/24527024 http://dx.doi.org/10.1107/S1600536813034107 |
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