1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline

Acta Crystallogr C. 2010 Jun;66(Pt 6):o310-2. doi: 10.1107/S0108270110018433. Epub 2010 May 26.

Abstract

The molecule of the title compound, C(31)H(30)N(2), contains a single intramolecular hydrogen bond, in contrast with the related N-methyl compound which exists as hydrogen-bonded dimers in the solid state [Cortright, Huffman, Yoder, Coalter & Johnston (2004). Organometallics, 23, 2238-2250]. Application of the density functional theory programs CASTEP and DMol(3) allows accurate assignment of the location of the H atoms in the structure.