（R）-N-苄基-1-苯乙铵（R）-4-氯扁桃酸盐的晶体结构
Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloro-mandelate.
作者信息
Peng Yangfeng, Rohani Sohrab, Boyle Paul D, He Quan
机构信息
School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, People's Republic of China.
Department of Chemical and Biochemical Engineering, Western University, London, Ontario, N6A 5B9, Canada.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 5;70(Pt 12):o1223-4. doi: 10.1107/S1600536814023204. eCollection 2014 Dec 1.
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).
标题分子盐C15H18N(+)·C8H6ClO3 (-)的绝对构型已通过共振散射得到证实。在(R)-N-苄基-1-苯基乙铵阳离子中，苯环彼此倾斜44.65 (7)°。在晶体中，(R)-4-氯扁桃酸根阴离子通过O-H⋯O氢键相连，并通过涉及阳离子的N-H⋯O氢键桥连，沿[010]形成链状结构。链内存在C-H⋯O氢键，这些氢键通过C-H⋯π相互作用和短的Cl⋯Cl相互作用[3.193 (1) Å]相连，形成三维框架。该结构作为两组分倒易孪晶进行精修，得到的Flack参数为0.05 (4)。
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