Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 10 (October 2013)


organic compounds



hg5346 scheme

Acta Cryst. (2013). E69, o1556-o1557    [ doi:10.1107/S1600536813025312 ]

Desvenlafaxinium chloranilate ethyl acetate solvate

M. Kaur, J. P. Jasinski, R. J. Butcher, H. S. Yathirajan and K. Byrappa

Abstract: In the cation of the title compound, C16H26NO2+·C6HCl2O4-·C4H8O2, the 1-hydroxy-cyclohexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hydroxycyclohexyl and 4-hydroxyphenyl 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 interactions occur.


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