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

RH Howard; N Theobald; M Bochmann; JA Wright

doi:10.1107/S0108270110018433

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

RH Howard, N Theobald, M Bochmann, JA Wright

Synthetic and Medicinal Chemistry

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

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 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

Original language	English
Pages (from-to)	o310-o312
Journal	Acta Crystallographica Section C
Volume	66
Issue number	6
DOIs	https://doi.org/10.1107/S0108270110018433
Publication status	Published - 2010

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10.1107/S0108270110018433

Cite this

@article{ffdb64a816fd4828814efcf17db570b5,

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

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 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",

author = "RH Howard and N Theobald and M Bochmann and JA Wright",

year = "2010",

doi = "10.1107/S0108270110018433",

language = "English",

volume = "66",

pages = "o310--o312",

journal = "Acta Crystallographica Section C",

issn = "1600-5759",

publisher = "International Union of Crystallography",

number = "6",

}

TY - JOUR

T1 - 1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline

AU - Howard, RH

AU - Theobald, N

AU - Bochmann, M

AU - Wright, JA

PY - 2010

Y1 - 2010

N2 - 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

AB - 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

U2 - 10.1107/S0108270110018433

DO - 10.1107/S0108270110018433

M3 - Article

SN - 1600-5759

SN - 2053-2296

VL - 66

SP - o310-o312

JO - Acta Crystallographica Section C

JF - Acta Crystallographica Section C

IS - 6

ER -