Liu Yuan-Yuan, Xu Guang-Hui, Li Zheng-Jie, Xu Hong-Yu, Gu Chang-Qing
Department of Chemical and Pharmaceutical Engineering, Southeast University ChengXian College, Nanjing 210088, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o512. doi: 10.1107/S1600536813005515. Print 2013 Apr 1.
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.
标题化合物C₁₈H₂₄NO₃⁺·Cl⁻·H₂O是通过盐酸普萘洛尔与乙酰氯在氯仿中反应，然后在空气中缓慢蒸发合成的。在阳离子中，萘环体系平面与乙酸酯基团平面之间的二面角为71.1 (2)°。分子内N-H⋯O氢键导致形成一个非平面的假环，醚O和H原子分别从其他环原子平面位移-1.328 (2) 和0.65 Å。阳离子和阴离子通过N-H⋯Cl氢键相连。水分子通过C-H⋯O氢键与一个甲基H原子相连。
