Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-eth-yl]pyrrolidinium 2-amino-5-chloro-benzoate.

ABSTRACT: In the cation of the title mol-ecular 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 carboxyl-ate group and the benzene ring is 18.57?(14)°, and an intra-molecular 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.

SUBMITTER: Li Y 

PROVIDER: S-EPMC4571409 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature