AI Article Synopsis
- - The compound C16H26NO2 (+)·C7H5O2 (-) is a benzoate salt derived from tramadol, a common painkiller.
- - The structure features a slightly distorted chair conformation of a cyclo-hexane ring, with specific groups attached at the 2 and 3 positions of the ring.
- - In the crystal structure, weak hydrogen bonds and C-H⋯π interactions link the molecules, forming chains that extend along the [010] direction.
Article Abstract
The title compound, C16H26NO2 (+)·C7H5O2 (-), is a benzoate salt of the painkiller Tramadol. The six-membered cyclo-hexane ring of the cation adopts a slightly distorted chair conformation and carries OH and 3-meth-oxy-phenyl substituents at the 2-position and a protonated methyl-aza-niumylmethyl group at the 3-position. In addition, a weak intra-molecular 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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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645060 | PMC |
| http://dx.doi.org/10.1107/S2056989015019362 | DOI Listing |
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