Crystal Structure and DFT Study of N-(6-(Diphenylamino)Pyridin-2-Yl)-N-Phenylacetamide

Abstract

The title compound N-(6-(diphenylamino)pyridin-2-yl)-N-phenylacetamide (1) crystallizes in the monoclinic crystal system in the space group P2₁/n with unit cell parameters a = 9.571(7) Å, b = 9.333(6) Å, c = 22.431(16) Å, β = 100.669(10)°, V = 1969(2) ų, and Z = 4. The structures of amine and amide units are planar. Dihedral angles of a pyridine ring with the amine and amide planes are 20.19(11)° and 37.21(8)°, respectively, indicating that an electron-rich diphenylamino group makes better conjugation with an electron-deficient pyridine ring. The oxygen atom of the amide group forms an intramolecular hydrogen bond with a hydrogen atom of the pyridine ring.