Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



lh5578 scheme

Acta Cryst. (2013). E69, o485-o486    [ doi:10.1107/S1600536813003991 ]

Cinnarizinium bis(p-toluenesulfonate) dihydrate

C. N. Kavitha, R. J. Butcher, J. P. Jasinski, H. S. Yathirajan and A. S. Dayananda

Abstract: The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis(p-toluenesulfonate) dihydrate], C26H30N22+·2C7H7O3S-·2H2O, consists of a diprotonated cinnarizinium cation hydrogen bonded through two water molecules to two independent p-toluenesulfonate anions, one which is disordered over two sets of sites in a 0.793 (3):0.207 (3) ratio. In the cation, the piperazine ring adopts a chair configuration and contains two positively charged N atoms with quarternery character. The dihedral angle between the two benzene rings in the benzhydryl group is 71.8 (1)°. The benzene ring flanked opposite the piperazine ring is twisted by 75.9 (9) and 8.8 (3)° from these two benzene rings. In the crystal, the [N-H...Owater-H...O([pdbond]S)]2 hydrogen-bonded asymmetric unit is connected by further O-H...O hydrogen bonds linking the components into chains along [100].


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