Flunarizinium isonicotinate.

Channappa N Kavitha,Manpreet Kaur,Jerry P Jasinski,H S Yathirajan

doi:10.1107/s1600536814010423

Channappa N Kavitha, Manpreet Kaur + Show 2 more

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https://doi.org/10.1107/s1600536814010423

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Abstract

In the cation of the title salt {systematic name: 4-[bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, 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 π–π stacking interactions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid–centroid distance of 3.700 (7) Å, link molecules along [100].

Highlights

In the cation of the title salt {systematic name: 4-[bis(4fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, C26H27F2N2+C6H4NO2, the piperazine ring is in a slightly distorted chair conformation
H atoms treated by a mixture of independent and constrained refinement max = 0.18 e Å3
Supporting information for this paper is available from the IUCr electronic archives (Reference: LH5702)

Summary

Agilent Eos Gemini diffractometer

S. Yathirajana a Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore. R factor = 0.040; wR factor = 0.110; data-to-parameter ratio = 9.5. In the cation of the title salt {systematic name: 4-[bis(4fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, 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). A single N—H O hydrogen bond links the cation and the anion. Weak C—H O hydrogen bonds and – stacking interactions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid–centroid distance of. 3.700 (7) Å, link molecules along [100]

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Crystal data

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