Crystal Structure and DFT Study of N-Phenyl-N-(Pyridin-4-Yl)acetamide

Abstract

The title compound N-phenyl-N-(pyridin-4-yl)acetamide (1) crystallizes in the monoclinic crystal system in the space group P2 1 /n with unit cell parameters a = 9.097(7) Å, b = 11.824(11) Å, c = 10.128(10) Å, β = 106.64(2)°, V = 1043.8(16) Å 3 and Z = 4. The structure of the amide unit is almost planar. The dihedral angles of the amide plane with the benzene and pyridine rings are 58.40(5)° and 61.51(5)° respectively, indicating that neither phenyl nor pyridyl group is conjugated with the amide unit.