Crystal structure of rac-4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol benzoate.

ABSTRACT: The title salt, C₁₃H₂₂NO₃⁺·C₇H₅O₂^-, comprises one salbutamol cation {sys-tematic name: 4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol} and a benzoate anion. The cation shows disorder of the hy-droxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30 (8)°] is linked to the salbutamol cation by a medium-strength O-H⋯O hydrogen bond. Other inter-molecular O-H⋯O and N-H⋯O hydrogen bonds of weaker nature give rise to [001] chains.

SUBMITTER: Liu W 

PROVIDER: S-EPMC5588574 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature