Cargando…
Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate
In the cation of the title molecular salt, C(13)H(20)NO(+)·C(7)H(5)ClNO(2) (−), 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 i...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571409/ https://www.ncbi.nlm.nih.gov/pubmed/26396809 http://dx.doi.org/10.1107/S2056989015013389 |
Sumario: | In the cation of the title molecular salt, C(13)H(20)NO(+)·C(7)H(5)ClNO(2) (−), 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. |
---|