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4-[Bis(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium 3-carb-oxy-propano-ate.


ABSTRACT: In the title salt, C(26)H(27)F(2)N(2) (+)·C(4)H(5)O(4) (-), the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O-H⋯O hydrogen bonds between the carb-oxy-lic acid and carboxyl-ate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chains via N(+)-H⋯O(-) hydrogen bonds. C-H⋯O inter-actions connect these chains into a three-dimensional network. The shortest centroid-centroid distance of 3.7256 (10) Å was found between one of the fluorinated benzene rings and the non-fluorinated phenyl ring in the neighbouring mol-ecule related by a glide plane.

SUBMITTER: Kavitha CN 

PROVIDER: S-EPMC3569791 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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4-[Bis(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium 3-carb-oxy-propano-ate.

Kavitha Channappa N CN   Yathirajan Hemmige S HS   Narayana Badiadka B   Gerber Thomas T   van Brecht Benjamin B   Betz Richard R  

Acta crystallographica. Section E, Structure reports online 20130119 Pt 2


In the title salt, C(26)H(27)F(2)N(2) (+)·C(4)H(5)O(4) (-), the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O-H⋯O hydrogen bonds between the carb-oxy-lic acid and carboxyl-ate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chains via N(+)-H⋯O(-) hydrogen bonds. C-H⋯O inter-actions connect these chains  ...[more]

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