Flupentixol tartrate

Abstract

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 - HO, N - HO, O - HN and C - HO hydrogen bonds, forming chains propagating along [100]. In addition, R2 2(7), R2 2(11), R2 2(10) and R2 2(12) graph-set ring motifs involving the anions, and R2 2(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). © Yamuna et al. 2014.