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Bupropion hydrobromide propanol hemisolvate
The title compound {systematic name: N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C(13)H(19)ClNO(+)·Br(−)·0.5C(3)H(8)O, crystallizes with two independent bupropion hydrobromide ion pairs and a solvent 1-propanol molecule in the asymmetric unit. In both...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201450/ https://www.ncbi.nlm.nih.gov/pubmed/22064727 http://dx.doi.org/10.1107/S1600536811037093 |
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author | Liu, Min Hu, Xiu-Rong Gu, Jian-Ming Tang, Gu-Ping |
author_facet | Liu, Min Hu, Xiu-Rong Gu, Jian-Ming Tang, Gu-Ping |
author_sort | Liu, Min |
collection | PubMed |
description | The title compound {systematic name: N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C(13)H(19)ClNO(+)·Br(−)·0.5C(3)H(8)O, crystallizes with two independent bupropion hydrobromide ion pairs and a solvent 1-propanol molecule in the asymmetric unit. In both molecules, the expected proton transfer from HBr to the amino group of the bupropion molecule is observed, and intra- and intermolecular N—H⋯Br hydrogen-bond interactions are formed. These interactions link the molecules into hydrogen-bond dimers. The side chains of the two cations have slightly different orientations. The 1-propanol solvent molecule is linked to a bromide ion by an O—H⋯Br hydrogen bond. |
format | Online Article Text |
id | pubmed-3201450 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32014502011-11-06 Bupropion hydrobromide propanol hemisolvate Liu, Min Hu, Xiu-Rong Gu, Jian-Ming Tang, Gu-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound {systematic name: N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C(13)H(19)ClNO(+)·Br(−)·0.5C(3)H(8)O, crystallizes with two independent bupropion hydrobromide ion pairs and a solvent 1-propanol molecule in the asymmetric unit. In both molecules, the expected proton transfer from HBr to the amino group of the bupropion molecule is observed, and intra- and intermolecular N—H⋯Br hydrogen-bond interactions are formed. These interactions link the molecules into hydrogen-bond dimers. The side chains of the two cations have slightly different orientations. The 1-propanol solvent molecule is linked to a bromide ion by an O—H⋯Br hydrogen bond. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201450/ /pubmed/22064727 http://dx.doi.org/10.1107/S1600536811037093 Text en © Liu et al. 2011 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 Liu, Min Hu, Xiu-Rong Gu, Jian-Ming Tang, Gu-Ping Bupropion hydrobromide propanol hemisolvate |
title | Bupropion hydrobromide propanol hemisolvate |
title_full | Bupropion hydrobromide propanol hemisolvate |
title_fullStr | Bupropion hydrobromide propanol hemisolvate |
title_full_unstemmed | Bupropion hydrobromide propanol hemisolvate |
title_short | Bupropion hydrobromide propanol hemisolvate |
title_sort | bupropion hydrobromide propanol hemisolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201450/ https://www.ncbi.nlm.nih.gov/pubmed/22064727 http://dx.doi.org/10.1107/S1600536811037093 |
work_keys_str_mv | AT liumin bupropionhydrobromidepropanolhemisolvate AT huxiurong bupropionhydrobromidepropanolhemisolvate AT gujianming bupropionhydrobromidepropanolhemisolvate AT tangguping bupropionhydrobromidepropanolhemisolvate |