Communication

Journal of Chemical Crystallography

, Volume 40, Issue 6, pp 557-560

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

  • Jung-An ChengAffiliated withDepartment of Photonics and Display Institute, National Chiao Tung University Email author 
  • , Pi-Ju ChengAffiliated withDepartment of Photonics and Display Institute, National Chiao Tung University

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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) Å3 with unit cell parameters a = 10.3077(10) Å, b = 11.3545(11) Å, c = 14.4778(14) Å, α = 82.339(2)°, β = 77.657(2)°, and γ = 75.526(2)°. 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 π–π interaction with a distance of 3.861 Å.

Graphical Abstract

The title compound, C44H32N2, crystallizes in the triclinic space group P − 1. The two molecules in the asymmetric unit differed in the orientation of their triarylamino groups. The biphenyl group in the central structure was nearly coplanar and the packing of the molecules in the lattice was mainly due to the naphthyl-to-naphthyl π–π interaction.
http://static-content.springer.com/image/art%3A10.1007%2Fs10870-010-9748-0/MediaObjects/10870_2010_9748_Figa_HTML.gif

Keywords

OLED NPB Single-crystal Hole-transporting