Acta Crystallographica Section E

Volume 67, Part 8 (August 2011)

organic compounds

su2290 scheme

Acta Cryst. (2011). E67, o2079-o2080 [ doi:10.1107/S1600536811028182 ]

1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9H-thioxanthen-9-ylidene)propyl]piperazine-1,4-diium dichloride: the dihydrochloride salt of flupentixol

M. S. Siddegowda, R. J. Butcher, M. Akkurt, H. S. Yathirajan and B. Narayana

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-HCl, O-HCl C-HO and C-HCl hydrogen bonds, forming chains propagating along [001]. There are also C-H [pi] interactions present in the crystal structure.


	Hyper-Text Markup Language (HTML) file (91.4 kbytes) [ doi:10.1107/S1600536811028182/su2290sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.7 kbytes) [ doi:10.1107/S1600536811028182/su2290Isup3.cml ] Supplementary material

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