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Flunarizinium isonicotinate.

ABSTRACT: In the cation of the title salt {systematic name: 4-[bis-(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxyl-ate}, C26H27F2N2 (+)·C6H4NO2 (-), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9?(1)° and these benzene rings form dihedral angles of 6.5?(1) and 87.8?(1)° with the phenyl ring. In the crystal, a single N-H?O hydrogen bond links the cation and the anion. In addition, weak C-H?O hydrogen bonds and ?-? stacking inter-actions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid-centroid distance of 3.700?(7)?Å, link mol-ecules along [100].

SUBMITTER: Kavitha CN

PROVIDER: S-EPMC4051108 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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Flunarizinium isonicotinate.

Kavitha Channappa N CN Kaur Manpreet M Jasinski Jerry P JP Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

In the cation of the title salt {systematic name: 4-[bis-(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxyl-ate}, C26H27F2N2 (+)·C6H4NO2 (-), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9 (1)° and these benzene rings form dihedral angles of 6.5 (1) and 87.8 (1)° with the phenyl ring. In the crystal, a single N-H⋯O hydrogen bond links the cati ...[more]

PMID: 24940261

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