Crystal structure of {[2-hy-droxy-2-(3-meth-oxy-phen-yl)cyclo-hex-yl]meth-yl}di-methyl-ammonium benzoate.

S N Sheshadri, P Nagendra, B P Siddaraju, K H Hemakumar, K Byrappa, N K Lokanath, S Madan Kumar

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Article in Acta crystallographica. Section E, Crystallographic communications, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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7 authors.

S N SheshadriDepartment of Chemistry, GSSS Institute of Engineering Technology for Women, Mysuru 570 016, India.

P NagendraDepartment of Chemistry, BET Academy of Higher Education, Bharathi College, Bharthi Nagara, Mandya 571 422, India.

B P SiddarajuDepartment of Engineering Chemistry, Cauvery Institute of Technology, Mandya 571 402, India.

K H HemakumarDepartment of Chemistry, Cambridge institute of Technology, Bengaluru 560 036, India.

K ByrappaDepartment of Materials Science, Mangalagangotri, Mangalore University, Mangaluru 574 199, India.

N K LokanathDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysore, 570 006, India.

S Madan KumarPURSE Lab, Mangalagangotri, Mangalore University, Mangaluru 574 199, India.

Funding

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6 · The paper itself

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.

Indexed as

crystal structureintermolecular hydrogen bondsTramadol

Identifiers

PMID26594567

DOI10.1107/S2056989015019362

PMCPMC4645060

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