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Crystal structure of {[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate
The title compound, C(16)H(26)NO(2) (+)·C(7)H(5)O(2) (−), is a benzoate salt of the painkiller Tramadol. The six-membered cyclohexane ring of the cation adopts a slightly distorted chair conformation and carries OH and 3-methoxyphenyl substituents at the 2-position and a protonated methylazaniu...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645060/ https://www.ncbi.nlm.nih.gov/pubmed/26594567 http://dx.doi.org/10.1107/S2056989015019362 |
Sumario: | The title compound, C(16)H(26)NO(2) (+)·C(7)H(5)O(2) (−), is a benzoate salt of the painkiller Tramadol. The six-membered cyclohexane ring of the cation adopts a slightly distorted chair conformation and carries OH and 3-methoxyphenyl substituents at the 2-position and a protonated methylazaniumylmethyl group at the 3-position. In addition, a weak intramolecular C—H⋯O hydrogen bond is observed in the cation. In the crystal, weak O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the components into chains along [010]. A C—H⋯π contact is also observed. |
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