Desvenlafaxinium chloranilate ethyl acetate solvate.

ABSTRACT: In the cation of the title compound, C16H26NO2 (+)·C6HCl2O4 (-)·C4H8O2, the 1-hy-droxy-cyclo-hexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hy-droxy-cyclo-hexyl and 4-hy-droxy-phenyl rings is 84.0?(8)°. In the anion, the hydroxyl H atom is twisted slightly out of the ring plane with a C-C-O-H torsion angle of -171.9°. Disorder was modeled for the methyl group of the acetate group in the solvate with an occupancy ratio of 0.583?(15): 0.417?(15). In the crystal, O-H?O hydrogen bonds are observed between cations and between cations and anions, while bifuricated N-H?(O,O) cation-anion hydrogen bonds are also present, forming chains along [010] and [100]. In addition weak cation-anion and cation-solvate C-H?O inter-actions occur.

SUBMITTER: Kaur M 

PROVIDER: S-EPMC3790419 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature