Abstract
The title compound {systematic name: N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C13H19ClNO+·Br−·0.5C3H8O, 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.
Highlights
The title compound {systematic name: N-[1-(3-chlorophenyl)1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C13H19ClNO+ÁBrÀÁ0.5C3H8O, crystallizes with two independent bupropion hydrobromide ion pairs and a solvent 1-propanol molecule in the asymmetric unit
The expected proton transfer from HBr to the amino group of the bupropion molecule is observed, and intraand intermolecular N—HÁ Á ÁBr hydrogen-bond interactions are formed. These interactions link the molecules into hydrogen-bond dimers
The 1-propanol solvent molecule is linked to a bromide ion by an O—HÁ Á ÁBr hydrogen bond
Summary
The title compound {systematic name: N-[1-(3-chlorophenyl)1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C13H19ClNO+ÁBrÀÁ0.5C3H8O, 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 intraand intermolecular N—HÁ Á ÁBr hydrogen-bond interactions are formed. The expected proton transfer from HBr to the amino group of the bupropion molecule is observed, and intraand intermolecular N—HÁ Á ÁBr hydrogen-bond interactions are formed These interactions link the molecules into hydrogen-bond dimers. The 1-propanol solvent molecule is linked to a bromide ion by an O—HÁ Á ÁBr hydrogen bond. For the related structures of an ethanol hemi-solvate bupropion derivative and bupropion hydrochloride, see: Froimowitz et al (1998); Maccaroni et al (2009)
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