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Cinnarizinium fumarate.

ABSTRACT: In the title salt {systematic name: 4-diphenyl-methyl-1-[(E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb-oxy-prop-2-enoate}, C26H29N2(+)·C4H3O4(-), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl-methyl group is 74.2?(7)° and those between these rings and the phenyl ring of the 3-phenyl-prop-2-en-1-yl group are 12.7?(9) and 80.6?(8)°. In the crystal, N-H?O and O-H?O hydrogen bonds form chains along [001]. Weak C-H?O inter-actions connect parallel chains along [010], forming layers perpendicular to the a-axis direction.

SUBMITTER: Kavitha CN 

PROVIDER: S-EPMC3588249 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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Cinnarizinium fumarate.

Kavitha C N CN   Yildirim Sema Ōztūrk SŌ   Jasinski Jerry P JP   Yathirajan H S HS   Butcher Ray J RJ  

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

In the title salt {systematic name: 4-diphenyl-methyl-1-[(E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb-oxy-prop-2-enoate}, C26H29N2(+)·C4H3O4(-), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl-methyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenyl-prop-2-en-1-yl group are 12.7 (9)  ...[more]