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Cinnarizinium 3,5-dinitro-salicylate

Cinnarizinium 3,5-dinitro-salicylate

Alaloor S Dayananda, Hemmige S Yathirajan, Thomas Gerber, Eric Hosten, Richard Betz

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1165-6.

PMID: 22606110

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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP1173021005	(±)-Nicotine-d3 salicylate salt		1173021-00-5	Price

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