2-羟基-N,N,N-三甲基-3-十四烷氧基丙基溴化铵
2-Hy-droxy-N,N,N-trimethyl-3-tetra-decyl-oxypropan-1-aminium bromide.
作者信息
Wang Xiuhong, Wei Xilian, Du Panpan
机构信息
College of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o246. doi: 10.1107/S1600536811054651. Epub 2011 Dec 23.
In the crystal structure of the title compound, C(20)H(44)NO(2) (+)·Br(-), the cation and anion are connected via an O-H⋯Br hydrogen bond, forming an ionic pair. The cation is disordered over two conformations related by a mirror plane, and the anion is situated on a mirror plane so that the asymmetric unit contains half of the ionic pair. The long alkyl chain in the cation adopts an all-trans conformation. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions.
在标题化合物C(20)H(44)NO(2) (+)·Br(-)的晶体结构中，阳离子和阴离子通过O-H⋯Br氢键相连，形成离子对。阳离子在由镜面相关的两种构象间无序分布，阴离子位于镜面上，因此不对称单元包含半个离子对。阳离子中的长烷基链呈全反式构象。晶体堆积呈现出弱的分子间C-H⋯O相互作用。
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