Desvenlafaxinium chloranilate ethyl acetate solvate

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)°....

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Bibliographic Details
Main Authors: Manpreet Kaur, Jerry P. Jasinski, Ray J. Butcher, H. S. Yathirajan, K. Byrappa
Format: Article
Language:English
Published: International Union of Crystallography 2013-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813025312
Description
Summary: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.
ISSN:1600-5368