Flupentixol tartrate

• Main Authors: Thammarse S. Yamuna, Manpreet Kaur, Brian J. Anderson, Jerry P. Jasinski, H.S. Yathirajan
• Format: Article
• Language: English
• Published: International Union of Crystallography 2014-02-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536814001536

In the title salt, C23H26F3N2OS+·C4H5O6− [systematic name: 1-(2-hydroxyethyl)-4-[3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl]piperazin-1-ium 3-carboxy-2,3-dihydroxypropionate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thiopyran ring of the thioxanthene group has a boat conformation. The dihedral angle between the mean planes of the two outer aromatic rings of the thioxanthene groups is 31.6 (2)°. In the crystal, the cations and anions are linked via O—H...O, N—H...O, O—H...N and C—H...O hydrogen bonds, forming chains propagating along [100]. In addition, R22(7), R22(11), R22(10) and R22(12) graph-set ring motifs involving the anions, and R22(9) graph-set ring motifs involving both the cations and anions are observed. The three F atoms of the trifluoromethyl group are disordered over two sets of sites and the individual atoms were refined with occupancy ratios of 0.54 (6):0.46 (6), 0.72 (2):0.28 (2) and 0.67 (3):0.33 (3).