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(Z)-1,1-Dicyano-2-(4-fluoro-phen-yl)-3-(1-hexyl-pyridin-1-ium-4-yl)prop-2-en-1-ide.

ABSTRACT: The title compound, C(22)H(22)FN(3), exists as a zwitterion with the negative charge on the dicyano-methanide group and the positive charge on the pyridinium N atom. The mol-ecule adopts a Z conformation about the central C=C bond. The dihedral angle between the pyridinium and benzene rings is 65.65?(5)°. Weak C-H?N hydrogen bonding is present in the crystal structure.

SUBMITTER: Hao WH

PROVIDER: S-EPMC3254434 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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(Z)-1,1-Dicyano-2-(4-fluoro-phen-yl)-3-(1-hexyl-pyridin-1-ium-4-yl)prop-2-en-1-ide.

Hao Wen-Hui WH Wang Cheng C Qian Gang G Wang Zhi-Yuan ZY

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

The title compound, C(22)H(22)FN(3), exists as a zwitterion with the negative charge on the dicyano-methanide group and the positive charge on the pyridinium N atom. The mol-ecule adopts a Z conformation about the central C=C bond. The dihedral angle between the pyridinium and benzene rings is 65.65 (5)°. Weak C-H⋯N hydrogen bonding is present in the crystal structure. ...[more]

PMID: 22259581

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