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

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?? contacts with H?? distances of 2.44?Å; however, no ?-stacking is observed.

SUBMITTER: Booysen I

PROVIDER: S-EPMC2969432 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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

Booysen Irvin I Gerber Thomas I A TI Hosten Eric E Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

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, respe ...[more]

PMID: 21582846

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