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1‐[2‐(2,6‐Diisopropylanilino)‐1‐naphthyl]isoquinoline
Authors:Ruth H. Howard  Nicola Theobald  Manfred Bochmann  Joseph A. Wright
Abstract:The molecule of the title compound, C31H30N2, 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 DMol3 allows accurate assignment of the location of the H atoms in the structure.
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