Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate

• Main Authors: Yunli Li, Zhanjun Li, Yanjie Hu, Wen Li
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-08-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; 2-amino-5-chlorobenzoate anion; 1-[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]pyrrolidinium cation; hydrogen bonding
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015013389

In the cation of the title molecular salt, C13H20NO+·C7H5ClNO2−, the five-membered ring adopts a twisted conformation about one of the C—N bonds. The exocyclic N—C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxylate group and the benzene ring is 18.57 (14)°, and an intramolecular N—H...O hydrogen bond closes an S(6) ring. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [100] chains.