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4-(5,6-Dihydro-benzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate.

ABSTRACT: In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent mol-ecule are disordered over two sets of sites, in 0.750?(5):0.250?(5) and 0.882?(4):0.118?(4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihy-droxy-phenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3?(2)° for the major disorder component and 88.3?(5)° for the minor disorder component]. In the crystal, mol-ecules are linked into layers parallel to (110) by O-H?N and C-H?O hydrogen bonds. A bifurcated O-H?(O,S) bond links the benzimidazole and solvent mol-ecules.

SUBMITTER: Eltayeb NE

PROVIDER: S-EPMC3152048 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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4-(5,6-Dihydro-benzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate.

Eltayeb Naser Eltaher NE Teoh Siang Guan SG Yeap Chin Sing CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent mol-ecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihy-droxy-phenyl ring is almost perpendicular to the mean pla ...[more]

PMID: 21837112

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