Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloromandelate

Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloromandelate

The absolute configuration of the title molecular salt, C15H18N+·C8H6ClO3−, has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethylammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloromandelate anions are linked via O—H......

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Bibliographic Details
Main Authors: Yangfeng Peng, Sohrab Rohani, Paul D. Boyle, Quan He
Format: Article
Language:English
Published: International Union of Crystallography 2014-12-01
Series:Acta Crystallographica Section E
Subjects:
Crystal structure
4-chloromandelate
diastereomeric salt
resolution
absolute structure
resonant scattering
hydrogen bonding
C—H...π interactions
Cl...Cl interaction
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814023204
Description
Summary:The absolute configuration of the title molecular salt, C15H18N+·C8H6ClO3−, has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethylammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloromandelate 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 interactions and a short Cl...Cl interaction [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).
ISSN:1600-5368

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