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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of {[2-hy­droxy-2-(3-meth­oxy­phen­yl)cyclo­hex­yl]meth­yl}di­methyl­ammonium benzoate
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Crystal structure of {[2-hy­droxy-2-(3-meth­oxy­phen­yl)cyclo­hex­yl]meth­yl}di­methyl­ammonium benzoate

机译:{[2-羟基-2-(3-甲氧基苯基)环己基]甲基}二甲基苯甲酸铵的晶体结构

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摘要

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.
机译:标题化合物C16H26NO2 +·C7H5O2-是止痛药曲马多的苯甲酸盐。阳离子的六元环己烷环采用稍微扭曲的椅子构象,并在2位带有OH和3-甲氧基苯基取代基,在3位带有质子化的甲基氮杂甲基。另外,在阳离子中观察到弱的分子内CHOH氢键。在晶体中,弱OH-NH,NH-OH和CHOH的氢键将这些成分沿[010]连接成链。还观察到C-H⋯π接触。

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