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Bupropion hydro-bromide propanol hemisolvate.

ABSTRACT: The title compound {systematic name: N-[1-(3-chloro-phen-yl)-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 hydro-bromide ion pairs and a solvent 1-propanol mol-ecule in the asymmetric unit. In both mol-ecules, the expected proton transfer from HBr to the amino group of the bupropion mol-ecule is observed, and intra- and inter-molecular N-H?Br hydrogen-bond inter-actions are formed. These inter-actions link the mol-ecules into hydrogen-bond dimers. The side chains of the two cations have slightly different orientations. The 1-propanol solvent mol-ecule is linked to a bromide ion by an O-H?Br hydrogen bond.

SUBMITTER: Liu M

PROVIDER: S-EPMC3201450 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Bupropion hydro-bromide propanol hemisolvate.

Liu Min M Hu Xiu-Rong XR Gu Jian-Ming JM Tang Gu-Ping GP

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The title compound {systematic name: N-[1-(3-chloro-phen-yl)-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 hydro-bromide ion pairs and a solvent 1-propanol mol-ecule in the asymmetric unit. In both mol-ecules, the expected proton transfer from HBr to the amino group of the bupropion mol-ecule is observed, and intra- and inter-molecular N-H⋯Br hydrogen-bond inter-actions are formed. These inter- ...[more]

PMID: 22064727

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