Abstract
In the title compound, C23H27F3N2OS+·2Cl−, the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoromethyl group are disordered over two sets of sites with occupancies of 0.803 (6) and 0.197 (6). In the crystal, molecules are connected by N—H⋯Cl, O—H⋯Cl C—H⋯O and C—H⋯Cl hydrogen bonds, forming chains propagating along [001]. There are also C—H⋯π interactions present in the crystal structure.
Highlights
In the title compound, C23H27F3N2OS+2Cl, the piperazinediium ring adopts a chair conformation
The F atoms in the trifluoromethyl group are disordered over two sets of sites with occupancies of
In view of the importance of flupentixol, we report on the crystal structure of its Dihydrochloride salt
Summary
Rint = 0.028 a Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore. NW, Washington, DC 20059, USA, cDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey, and dDepartment of Studies in Chemistry, Mangalore University, Mangalagangotri 574 199, India. Key indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.069; wR factor = 0.230; data-to-parameter ratio = 17.4. Cg1 and Cg2 are the centroids of the C2–C7 and C8–C13 benzene rings, respectively. C23H27F3N2OS+2Cl, the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18). Molecules are connected by N—H Cl, O—H Cl C—H O and C—H Cl hydrogen bonds, forming chains propagating along [001]. There are C—H interactions present in the crystal structure
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