Liu Wenju, Chen Qiliang, Yu Linda
School of Chemical Engineering and Environment, Henan University of Technology, Zhengzhou 450001, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2017 Aug 11;73(Pt 9):1333-1335. doi: 10.1107/S2056989017011513. eCollection 2017 Sep 1.
The title salt, CHNO·CHO, comprises one salbutamol cation {sys-tematic name: 4-[2-(-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol} and a benzoate anion. The cation shows disorder of the hy-droxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30 (8)°] is linked to the salbutamol cation by a medium-strength O-H⋯O hydrogen bond. Other inter-molecular O-H⋯O and N-H⋯O hydrogen bonds of weaker nature give rise to [001] chains.
标题盐CHNO·CHO由一个沙丁胺醇阳离子{系统命名：4-[2-（-丁基-氮鎓基）-1-羟基-乙基]-2-（羟基甲基）苯酚}和一个苯甲酸根阴离子组成。阳离子在立体中心碳原子处的羟基存在无序性[占有率为0.738 (3):0.262 (3)]。非平面的苯甲酸根阴离子[苯环与羧基之间的二面角为11.30 (8)°]通过中等强度的O-H⋯O氢键与沙丁胺醇阳离子相连。其他较弱的分子间O-H⋯O和N-H⋯O氢键形成了[001]链。
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