Crystal Study of N,N '-diphenyl-N,N '-bis(1-naphthyl)-1,1 '-biphenyl-4,4 '-diamine

Abstract

The structure of N,N'-diphenyl-N,N'-bis(1-naphthyl)- 1,1'-biphenyl-4,4'-diamine (NPB) with two molecules in the asymmetric unit, was solved and refined to a final R factor of 0.0434. The compound crystallized in the triclinic crystal system, space group P - 1, Z = 2, V = 1597.0(3) angstrom(3) with unit cell parameters a = 10.3077(10) angstrom, b = 11.3545(11) angstrom, c = 14.4778(14) angstrom, alpha = 82.339(2)degrees, beta = 77.657(2)degrees, and gamma = 75.526(2)degrees. The two molecules in the asymmetric unit differed in the orientation of their triarylamino groups. The biphenyl group in the central structure is coplanar, and the angle between the least-square planes of the two six-carbon rings of the biphenyl moiety is zero degree. The packing of the molecules in the lattice is mainly due to the naphthyl-to-naphthyl pi-pi interaction with a distance of 3.861 angstrom.