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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...

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Detalles Bibliográficos
Autores principales: Liu, Min, Hu, Xiu-Rong, Gu, Jian-Ming, Tang, Gu-Ping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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
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