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2-(5,6-Di-hydro-benzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate.

作者信息

Booysen Irvin, Gerber Thomas I A, Hosten Eric, Mayer Peter

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1565. doi: 10.1107/S1600536809021886.

DOI:10.1107/S1600536809021886
PMID:21582846
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969432/
Abstract

In the structure of the title compound, C(20)H(16)N(4)·CH(4)O, the aniline ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the benzimidazole and benzene rings, respectively. The orientation of the aniline ring is mainly determined by strong hydrogen bonds between the amino group and the non-fused quinazoline N atom. Inter-molecular hydrogen bonds of the N-H⋯N-H⋯N type along [010] and the N-H⋯O-H⋯N type along [100] are formed, resulting in C(2) (2)(4) and C(2) (2)(10) descriptors, respectively, on a binary level of graph-set analysis. There are C-H⋯π contacts with H⋯π distances of 2.44 Å; however, no π-stacking is observed.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c86/2969432/e4882a105825/e-65-o1565-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c86/2969432/e4882a105825/e-65-o1565-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c86/2969432/e4882a105825/e-65-o1565-fig1.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.