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2-(5,6-Dihydro-benzimidazo[1,2-c]quinazolin-6-yl)-5-methyl-phenol.

ABSTRACT: In the title compound, C(21)H(17)N(3)O, the imidazole ring is essentially planar, with a maximum deviation of 0.009?(1)?Å. The mol-ecule 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 pyrim-idine 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 intra-molecular N-H?O hydrogen bond. In the crystal, mol-ecules of the major component are connected by O-H?N hydrogen bonds, forming supra-molecular chains along the c axis.

SUBMITTER: Eltayeb NE

PROVIDER: S-EPMC3200579 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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2-(5,6-Dihydro-benzimidazo[1,2-c]quinazolin-6-yl)-5-methyl-phenol.

Eltayeb Naser Eltaher NE Teoh Siang Guan SG Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(21)H(17)N(3)O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The mol-ecule 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 pyrim-idine 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 ...[more]

PMID: 22058979

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