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Thermostabilization, Expression, Purification, and Crystallization of the Human Serotonin Transporter Bound to S-citalopram
Published on: November 27, 2016
Desvenlafaxinium chloranilate ethyl acetate solvate
Manpreet Kaur1, Jerry P Jasinski, Ray J Butcher
1Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
Abstract:
In the cation of the title compound, C16H26NO2 (+)·C6HCl2O4 (-)·C4H8O2, the 1-hy-droxy-cyclo-hexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hy-droxy-cyclo-hexyl and 4-hy-droxy-phenyl rings is 84.0 (8)°. In the anion, the hydroxyl H atom is twisted slightly out of the ring plane with a C-C-O-H torsion angle of -171.9°. Disorder was modeled for the methyl group of the acetate group in the solvate with an occupancy ratio of 0.583 (15): 0.417 (15). In the crystal, O-H⋯O hydrogen bonds are observed between cations and between cations and anions, while bifuricated N-H⋯(O,O) cation-anion hydrogen bonds are also present, forming chains along [010] and [100]. In addition weak cation-anion and cation-solvate C-H⋯O inter-actions occur.
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