Abstract
The title compound, C24H24N2O4·CH3CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-ethoxy-6-methylphenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-ethoxyphenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the molecule, there are strong O—H⋯N and O—H⋯O hydrogen bonds. In the crystal, molecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains propagating along [010].
Highlights
Data collectionR factor = 0.049; wR factor = 0.129; data-to-parameter ratio = 18.9
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3
The benzene ring of the 2-ethoxyphenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)
Summary
R factor = 0.049; wR factor = 0.129; data-to-parameter ratio = 18.9. H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3. The title compound, C24H24N2O4CH3CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-ethoxy-6-methylphenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8). The benzene ring of the 2-ethoxyphenol substituent is inclined to the benzimidazole mean plane by 29.68 (8). The dihedral angle between the benzene rings is 80.36 (9). Molecules are connected by bifurcated O—H (O,O). Hydrogen bonds, forming chains propagating along [010]
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