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(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide
The title chiral compound, C(23)H(28)NO(+)·Br(−), was obtained from an optically active aminoethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom α-positioned with respect to the keto group deviating by 0.570 (6) Å from the mean plane of other atoms. The tran...
| 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/PMC3394019/ https://www.ncbi.nlm.nih.gov/pubmed/22798884 http://dx.doi.org/10.1107/S1600536812028073 |
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| author | Rybakov, Victor B. Belov, Dmitry S. Lukyanenko, Evgeny R. Kurkin, Alexander V. Yurovskaya, Marina A. |
| author_facet | Rybakov, Victor B. Belov, Dmitry S. Lukyanenko, Evgeny R. Kurkin, Alexander V. Yurovskaya, Marina A. |
| author_sort | Rybakov, Victor B. |
| collection | PubMed |
| description | The title chiral compound, C(23)H(28)NO(+)·Br(−), was obtained from an optically active aminoethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom α-positioned with respect to the keto group deviating by 0.570 (6) Å from the mean plane of other atoms. The trans-fused seven-membered ring adopts a pseudo-chair conformation. The two phenyl rings form a dihedral angle of 85.1 (2)°. The cationic center and the bromide anion are connected through an N—H⋯Br hydrogen bond. |
| format | Online Article Text |
| id | pubmed-3394019 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-33940192012-07-13 (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide Rybakov, Victor B. Belov, Dmitry S. Lukyanenko, Evgeny R. Kurkin, Alexander V. Yurovskaya, Marina A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title chiral compound, C(23)H(28)NO(+)·Br(−), was obtained from an optically active aminoethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom α-positioned with respect to the keto group deviating by 0.570 (6) Å from the mean plane of other atoms. The trans-fused seven-membered ring adopts a pseudo-chair conformation. The two phenyl rings form a dihedral angle of 85.1 (2)°. The cationic center and the bromide anion are connected through an N—H⋯Br hydrogen bond. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394019/ /pubmed/22798884 http://dx.doi.org/10.1107/S1600536812028073 Text en © Rybakov 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 Rybakov, Victor B. Belov, Dmitry S. Lukyanenko, Evgeny R. Kurkin, Alexander V. Yurovskaya, Marina A. (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title | (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title_full | (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title_fullStr | (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title_full_unstemmed | (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title_short | (1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| title_sort | (1r,3r,3as,8ar)-4-oxo-3-phenyl-1-[(1r)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394019/ https://www.ncbi.nlm.nih.gov/pubmed/22798884 http://dx.doi.org/10.1107/S1600536812028073 |
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