Howard, RH, Theobald, N, Bochmann, M ORCID: https://orcid.org/0000-0001-7736-5428 and Wright, JA ORCID: https://orcid.org/0000-0001-9603-1001 (2010) 1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline. Acta Crystallographica Section C, 66 (6). o310-o312. ISSN 1600-5759

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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 and 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. Formula: C31H30N2

Item Type: Article
Faculty \ School: Faculty of Science > School of Chemistry
UEA Research Groups: Faculty of Science > Research Groups > Synthetic Chemistry (former - to 2017)
Faculty of Science > Research Groups > Chemistry of Materials and Catalysis
Faculty of Science > Research Groups > Chemistry of Light and Energy
Faculty of Science > Research Groups > Energy Materials Laboratory
Depositing User: Rachel Smith
Date Deposited: 12 Apr 2011 14:13
Last Modified: 23 Oct 2022 01:28
URI: https://ueaeprints.uea.ac.uk/id/eprint/29048
DOI: 10.1107/S0108270110018433

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