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rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate
In the title compound, C(25)H(26)N(2)O(3), the double bond connecting the aza-bicyclic and indole units has Z geometry. The compound was obtained as a racemate, and since the crystal is centrosymmetric it contains equal amounts of the S and R enantiomers. However, the structure is disordered such t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515217/ https://www.ncbi.nlm.nih.gov/pubmed/23284437 http://dx.doi.org/10.1107/S1600536812040731 |
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author | Penthala, Narsimha Reddy Ponugoti, Purushotham Rao Parkin, Sean Crooks, Peter A. |
author_facet | Penthala, Narsimha Reddy Ponugoti, Purushotham Rao Parkin, Sean Crooks, Peter A. |
author_sort | Penthala, Narsimha Reddy |
collection | PubMed |
description | In the title compound, C(25)H(26)N(2)O(3), the double bond connecting the aza-bicyclic and indole units has Z geometry. The compound was obtained as a racemate, and since the crystal is centrosymmetric it contains equal amounts of the S and R enantiomers. However, the structure is disordered such that the asymmetric unit contains both enantiomers in unequal amounts [refined occupancies 0.904 (2) and 0.096 (2)]. The dihedral angle between the benzene ring of the benzyl group and the mean plane of the indole ring is 76.07 (3) °. In the crystal, molecules are linked by O—H⋯O(carbonyl) hydrogen bonds into chains propagating in [110]. |
format | Online Article Text |
id | pubmed-3515217 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35152172013-01-02 rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate Penthala, Narsimha Reddy Ponugoti, Purushotham Rao Parkin, Sean Crooks, Peter A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(26)N(2)O(3), the double bond connecting the aza-bicyclic and indole units has Z geometry. The compound was obtained as a racemate, and since the crystal is centrosymmetric it contains equal amounts of the S and R enantiomers. However, the structure is disordered such that the asymmetric unit contains both enantiomers in unequal amounts [refined occupancies 0.904 (2) and 0.096 (2)]. The dihedral angle between the benzene ring of the benzyl group and the mean plane of the indole ring is 76.07 (3) °. In the crystal, molecules are linked by O—H⋯O(carbonyl) hydrogen bonds into chains propagating in [110]. International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515217/ /pubmed/23284437 http://dx.doi.org/10.1107/S1600536812040731 Text en © Penthala et al. 2012 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 Penthala, Narsimha Reddy Ponugoti, Purushotham Rao Parkin, Sean Crooks, Peter A. rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title |
rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title_full |
rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title_fullStr |
rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title_full_unstemmed |
rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title_short |
rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate |
title_sort | rac-(z)-methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1h-indole-6-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515217/ https://www.ncbi.nlm.nih.gov/pubmed/23284437 http://dx.doi.org/10.1107/S1600536812040731 |
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