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Cinnarizinium 3,5-dinitro-salicylate.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: 4-diphenyl-methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb-oxy-4,6-dinitro-pheno-late], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (-), is the dinitro-salicylate salt of a tertiary amine. Deprotonation of the carb-oxy-lic acid group occurred on the phenolic hy-droxy group. The diaza-cyclo-hexane ring adopts a chair conformation. Intra-molecular O-H?O and inter-molecular C-H?O and N-H?O hydrogen bonds are observed. The N-H?O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro-salicylate ions together. Inter-molecular C-H?O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

SUBMITTER: Dayananda AS 

PROVIDER: S-EPMC3344107 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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Cinnarizinium 3,5-dinitro-salicylate.

Dayananda Alaloor S AS   Yathirajan Hemmige S HS   Gerber Thomas T   Hosten Eric E   Betz Richard R  

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

THE TITLE COMPOUND [SYSTEMATIC NAME: 4-diphenyl-methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb-oxy-4,6-dinitro-pheno-late], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (-), is the dinitro-salicylate salt of a tertiary amine. Deprotonation of the carb-oxy-lic acid group occurred on the phenolic hy-droxy group. The diaza-cyclo-hexane ring adopts a chair conformation. Intra-molecular O-H⋯O and inter-molecular C-H⋯O and N-H⋯O hydrogen bonds are observed. The N-H⋯O hydrogen bonds are bifurcated at  ...[more]

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