Cinnarizinium bis­­(p-toluene­sulfonate) dihydrate

Kavitha, C. N. and Butcher, Ray J. and Jasinski, Jerry P. and Yathirajan, H. S. and Dayananda, A. S. (2013) Cinnarizinium bis­­(p-toluene­sulfonate) dihydrate. Acta Crystallographica Section E, 69 (4). o485-o486. ISSN 2056-9890

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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].

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 02 Nov 2019 05:25
Last Modified: 02 Nov 2019 05:25

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