Abstract
The title compound, C16H26NO2 +·C7H5O2 −, 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.
Highlights
The title compound, C16H26NO2+C7H5O2, is a benzoate salt of the painkiller Tramadol
There are number of crystal structures reported available related to this salt
In the view of the importance of Tramadol, we report the crystal structure of the title compound 2-hydroxy-2-(3-methoxy-phenyl)-cyclohexylmethyl-dimethyl-ammonium benzoate
Summary
The title compound, C16H26NO2+C7H5O2, 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. Hydrogen bond is observed in the cation. O—H O, N—H O and C—H O hydrogen bonds link the components into chains along [010]. H-atom parameters constrained max = 0.17 e Å3
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