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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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( 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 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/9739 |
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