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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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