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Flupentixol tartrate.

ABSTRACT: In the title salt, C23H26F3N2OS(+)·C4H5O6 (-) [systematic name: 1-(2-hy-droxy-eth-yl)-4-[3-(2-(tri-fluoro-meth-yl)thioxanthen-9-yl-idene)prop-yl]piperazin-1-ium 3-carb-oxy-2,3-di-hydroxy-pro-pion-ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thio-pyran 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, R (2) 2(7), R (2) 2(11), R (2) 2(10) and R (2) 2(12) graph-set ring motifs involving the anions, and R (2) 2(9) graph-set ring motifs involving both the cations and anions are observed. The three F atoms of the tri-fluoro-methyl 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).

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC3998353 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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Flupentixol tartrate.

Yamuna Thammarse S TS Kaur Manpreet M Anderson Brian J BJ Jasinski Jerry P JP Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20140129 Pt 2

In the title salt, C23H26F3N2OS(+)·C4H5O6 (-) [systematic name: 1-(2-hy-droxy-eth-yl)-4-[3-(2-(tri-fluoro-meth-yl)thioxanthen-9-yl-idene)prop-yl]piperazin-1-ium 3-carb-oxy-2,3-di-hydroxy-pro-pion-ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thio-pyran 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 ...[more]

PMID: 24764914

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