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
N,N′-Bis(3-methylphenyl)-N,N′-diphenyl-1,1′-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 P212121 [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  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.
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Document Type: Research Article
Publication date: 2004-06-01