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

Abstract

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.

Keywords

• crystal structure
• 2-amino-5-chlorobenzoate anion
• 1-[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]pyrrolidinium cation
• hydrogen bonding