Crystal structure of {2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate

Sheshadri, S. N. and Nagendra, P. and Siddaraju, B. P. and Hemakumar, K. H. and Byrappa, K. and Lokanath, N. K. and Kumar, S. M. (2015) Crystal structure of {2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate. Acta Crystallographica Section E-Crystallographic Communications, 71 (11). O864-U500. ISSN 2056-9890

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The title compound, C16H26NO2+center dot-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 center dot center dot center dot O hydrogen bond is observed in the cation. In the crystal, weak O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds link the components into chains along 010]. A C-H center dot center dot center dot pi contact is also observed.

Item Type: Article
Uncontrolled Keywords: crystal structure; Tramadol; intermolecular hydrogen bonds
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Users 19 not found.
Date Deposited: 29 May 2019 10:58
Last Modified: 18 Sep 2019 06:09

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