1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9H-thioxanthen-9-yl-idene) prop-yl]piperazine-1,4-diium dichloride: The dihydrochloride salt of flupentixol

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Abstract

In the title compound, C 23H 27F 3N 2OS +· 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 trifluoro-methyl 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.

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Siddegowda, M. S., Butcher, R. J., Akkurt, M., Yathirajan, H. S., & Narayana, B. (2011). 1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9H-thioxanthen-9-yl-idene) prop-yl]piperazine-1,4-diium dichloride: The dihydrochloride salt of flupentixol. Acta Crystallographica Section E: Structure Reports Online, 67(8). https://doi.org/10.1107/S1600536811028182

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