2-羟基-3-辛氧基-N,N,N-三甲基丙-1-溴化铵
2-Hy-droxy-3-oct-yloxy-N,N,N-trimethyl-propan-1-aminium bromide.
作者信息
Liu Jiuqiang, Wei Zengbin, Wei Xilian, Zhang Chong
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. 2010 Oct 20;66(Pt 11):o2865. doi: 10.1107/S1600536810040705.
In the title compound, C(14)H(32)NO(2) (+)·Br(-), organic cationsstacked parallel to the a axis andbromide anions placed between the head groups of the cations form ionic pairs via weak inter-molecular O-H⋯Br hydrogen bonds. The octyl chain in the cation adopts an all-trans conformation. The O-CH(2)-CH(-OH)-CH(2) portion of the molecule is disordered over two sets of sites with occupancy factors of 0.57 (3) and 0.47 (3).
在标题化合物C(14)H(32)NO(2)(+)·Br(-)中，有机阳离子沿a轴平行堆积，溴离子位于阳离子头基之间，通过弱分子间O-H⋯Br氢键形成离子对。阳离子中的辛基链呈全反式构象。分子的O-CH(2)-CH(-OH)-CH(2)部分在两组位置上无序，占位因子分别为0.57 (3)和0.47 (3)。
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