Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 5): 752-756, 2018 May 01.
Article
em En
| MEDLINE
| ID: mdl-29850106
ABSTRACT
In the cation of the title salt, C20H19N2O+·Br-, the phenyl rings are inclined to one another by 38.38â
(8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37â
(9)°. The N+=C cationic double bond was verified by the shortened bond length of 1.337â
(2)â
Å. In the crystal, the Br- anion is linked to the cation by an N-Hâ¯Br hydrogen bond. C-Hâ¯O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R22(18) graph-set motif. These dimers are stacked in a phen-yl-phenyl T-shaped geometry through C-Hâ¯π inter-actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.
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MEDLINE
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En
Ano de publicação:
2018
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Article