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Cinnarizinium bis(p-toluenesulfonate) dihydrate
The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis(p-toluenesulfonate) dihydrate], C(26)H(30)N(2) (2+)·2C(7)H(7)O(3)S(−)·2H(2)O, consists of a diprotonated cinnarizinium cation hydrogen bonded through two water molecules to two independent p-to...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629520/ https://www.ncbi.nlm.nih.gov/pubmed/23634038 http://dx.doi.org/10.1107/S1600536813003991 |
Sumario: | The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis(p-toluenesulfonate) dihydrate], C(26)H(30)N(2) (2+)·2C(7)H(7)O(3)S(−)·2H(2)O, 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⋯O(water)—H⋯O( 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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