%0 Journal Article
%T Cinnarizinium bis(p-toluenesulfonate) dihydrate
%A C. N. Kavitha
%A Ray J. Butcher
%A Jerry P. Jasinski
%A H. S. Yathirajan
%J Acta Crystallographica Section E
%D 2013
%I International Union of Crystallography
%R 10.1107/s1600536813003991
%X 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(...;S)]2 hydrogen-bonded asymmetric unit is connected by further O！H...O hydrogen bonds linking the components into chains along [100].
%U http://scripts.iucr.org/cgi-bin/paper?S1600536813003991