Non-merohedrally twinned crystals of N,N′-bis (3-methylphenyl)-N, N′-diphenyl-1,1′-biphenyl-4,4′-diamine: An excellent triphenylamine-based hole transporter

Zhibin Zhang, Eric Burkholder, Jon A Zubieta

Research output: Contribution to journalArticle

15 Scopus citations


N,N′-Bis(3-methylphenyl)-N,N′-diphenyl-l,l′-biphenyl-4, 4′ diamine (TPD), C38H32N2, crystallizes in the monoclinic space group P21 with a pseudo-orthogonal lattice, rather than the previously reported orthorhombic space group P2 121i [Kennedy, Smith, Tackley, David, Shankland, Brown & Teat (2002). J. Mater. Chem. 12, 168-172]. The asymmetric unit consists of two independent molecules, A and B, which are arranged along the [100] direction to form vertical layers of alternately stacked A and B molecules. Molecule A shows a great deal of rotational movement in the four terminal aryl rings, resulting in two disordered tolyl groups split over two sites, while molecule B exhibits an almost cis configuration of the two terminal tolyl groups with respect to these ring planes.

Original languageEnglish (US)
JournalActa Crystallographica Section C: Crystal Structure Communications
Issue number6
StatePublished - Jun 2004


ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

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