Yangfeng Peng, Sohrab Rohani, Paul D Boyle, Quan He
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引用次数: 0
摘要
标题分子盐C15H18N(+)·C8H6ClO3(-)的绝对构型通过共振散射得到了证实。在(R)- n -苄基-1-苯基乙基铵阳离子中，苯基环彼此倾斜44.65(7)°。在晶体中，(R)-4-氯-扁豆酸盐阴离子通过O- h⋯O氢键连接，并由涉及阳离子的N-H⋯O氢键桥接，沿[010]形成链。链内存在C-H⋯O氢键，它们通过C-H⋯π相互作用和短Cl⋯Cl相互作用[3.193 (1)Å]连接在一起，形成三维框架。该结构被细化为双组分反转孪晶，Flack参数为0.05(4)。
Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloro-mandelate.
The absolute configuration of the title mol-ecular salt, C15H18N(+)·C8H6ClO3 (-), has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethyl-ammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloro-mandelate anions are linked via O-H⋯O hydrogen bonds and bridged by N-H⋯O hydrogen bonds involving the cations, forming chains along [010]. There are C-H⋯O hydrogen bonds present within the chains, which are linked via C-H⋯π inter-actions and a short Cl⋯Cl inter-action [3.193 (1) Å] forming a three-dimensional framework. The structure was refined as a two-component inversion twin giving a Flack parameter of 0.05 (4).
期刊介绍：
Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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