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 Crystallographica. Section E, Crystallographic Communications
S N SheshadriIsmail Warad

Abstract

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 phen-yl-phenyl T-shaped geometry through C-H⋯π inter-actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.

References

Mar 11, 2006·Chemistry : a European Journal·Jordi PoaterF Matthias Bickelhaupt
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
May 2, 2012·Water Science and Technology : a Journal of the International Association on Water Pollution Research·Maria FuerhackerBernhard Keppler
Jan 2, 2015·Acta Crystallographica. Section E, Structure Reports Online·N SharmilaB Sridhar
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Aug 5, 2017·Acta Crystallographica. Section E, Crystallographic Communications·C S Chidan KumarIsmail Warad
Dec 19, 2017·Acta Crystallographica. Section E, Crystallographic Communications·Musa A SaidMouslim Messali

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Citations

Jul 14, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Huey Chong KwongMd Azharul Arafath

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