Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphenyl]-4-yl)-2-oxoethyl]-3-methyl-1,4-dihydropyridin-4-iminium bromide
[摘要] In the cation of the title salt, C20H19N2O+·Br−, the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N+=C cationic double bond was verified by the shortened bond length of 1.337 (2) Å. In the crystal, the Br− anion is linked to the cation by an N—H⋯Br hydrogen bond. C—H⋯O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R22(18) graph-set motif. These dimers are stacked in a phenyl–phenyl T-shaped geometry through C—H⋯π interactions. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.
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[效力级别] [学科分类] 数学(综合)
[关键词] CRYSTAL STRUCTURE;IONIC LIQUIDS;PYRIDINIMINIUM SALT;HYDROGEN BONDING;HIRSHFELD SURFACE ANALYSIS [时效性]