2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol

In the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9...

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Bibliographic Details
Main Authors: Naser Eltaher Eltayeb, Siang Guan Teoh, Madhukar Hemamalini, Hoong-Kun Fun
Format: Article
Language:English
Published: International Union of Crystallography 2011-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811032673
Description
Summary:In the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intramolecular N—H...O hydrogen bond. In the crystal, molecules of the major component are connected by O—H...N hydrogen bonds, forming supramolecular chains along the c axis.
ISSN:1600-5368