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Desvenlafaxinium chloranilate ethyl acetate solvate

In the cation of the title compound, C(16)H(26)NO(2) (+)·C(6)HCl(2)O(4) (−)·C(4)H(8)O(2), 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, t...

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Detalles Bibliográficos
Autores principales: Kaur, Manpreet, Jasinski, Jerry P., Butcher, Ray J., Yathirajan, H. S., Byrappa, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790419/
https://www.ncbi.nlm.nih.gov/pubmed/24098238
http://dx.doi.org/10.1107/S1600536813025312
Descripción
Sumario:In the cation of the title compound, C(16)H(26)NO(2) (+)·C(6)HCl(2)O(4) (−)·C(4)H(8)O(2), 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.