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[2-Acet-oxy-3-(naphthalen-1-yl-oxy)prop-yl](propan-2-yl)aza-nium chloride monohydrate.

ABSTRACT: The title compound, C18H24NO3 (+)·Cl(-)·H2O, was synthesized by the reaction of propranolol hydro-chloride with acetyl chloride in chloro-form followed by slow evaporation in air. In the cation, the dihedral angle between the planes of the naphthalene ring system and the acetate group is 71.1?(2)°. An intra-molecular N-H?O hydrogen bond results in the formation of a non-planar pseudo-ring, with the ether O and the H atom displaced by -1.328?(2) and 0.65?Å, respectively, from the plane of the other ring atoms. The cation and anion are linked by an N-H?Cl hydrogen bond. The water molecule is linked to a methyl H atom by C-H?O hydrogen bond.

SUBMITTER: Liu YY

PROVIDER: S-EPMC3629540 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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[2-Acet-oxy-3-(naphthalen-1-yl-oxy)prop-yl](propan-2-yl)aza-nium chloride monohydrate.

Liu Yuan-Yuan YY Xu Guang-Hui GH Li Zheng-Jie ZJ Xu Hong-Yu HY Gu Chang-Qing CQ

Acta crystallographica. Section E, Structure reports online 20130309 Pt 4

The title compound, C18H24NO3 (+)·Cl(-)·H2O, was synthesized by the reaction of propranolol hydro-chloride with acetyl chloride in chloro-form followed by slow evaporation in air. In the cation, the dihedral angle between the planes of the naphthalene ring system and the acetate group is 71.1 (2)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar pseudo-ring, with the ether O and the H atom displaced by -1.328 (2) and 0.65 Å, respectively, from the plane of the oth ...[more]

PMID: 23634058

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