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3-十二烷氧基-2-羟基-N,N,N-三甲基丙-1-铵溴化物

3-Dodec-yloxy-2-hydr-oxy-N,N,N-trimethyl-propan-1-aminium bromide.

作者信息

Fu Shizhou, Wei Zengbin, Wei Xilian, Wu Tao

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. 2009 Jul 11;65(Pt 8):o1836. doi: 10.1107/S160053680902635X.

Abstract

In the title compound, C(18)H(40)NO(2) (+)·Br(-), the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethyl-aminium groups and the bromide anions situated on the layer surface. The long alkyl chain in the cation adopts an all-trans conformation. In the crystal structure, molecules are connected by intermolecular O-H⋯Br hydrogen bonds, forming ionic pairs that are further connected into an extended chain structure via C-H⋯O hydrogen-bonding interactions. The crystal is chiral but nearly 90% of atoms in the unit cell are related by a pseudo-inversion center. The crystal shows racemic twinning with a 0.33:0.67 domain ratio.

摘要

在标题化合物C(18)H(40)NO(2) (+)·Br(-)中,由氢键连接的溴化物阴离子和有机阳离子形成的离子对排列成厚层,烷基指向内部,三甲基铵基团和溴化物阴离子位于层表面。阳离子中的长烷基链呈全反式构象。在晶体结构中,分子通过分子间O-H⋯Br氢键相连,形成离子对,这些离子对通过C-H⋯O氢键相互作用进一步连接成延伸的链状结构。该晶体是手性的,但晶胞中近90%的原子通过一个假反演中心相关联。该晶体显示出具有0.33:0.67畴比的外消旋孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf64/2977172/41752095d32c/e-65-o1836-fig1.jpg

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