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2-Eth-oxy-6-[1-(3-eth-oxy-2-hy-droxy-benz-yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate.


ABSTRACT: The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth-oxy-6-methyl-phenol 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-eth-oxy-phenol 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 mol-ecule, there are strong O-H?N and O-H?O hydrogen bonds. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains propagating along [010].

SUBMITTER: Ha K 

PROVIDER: S-EPMC3344524 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2-Eth-oxy-6-[1-(3-eth-oxy-2-hy-droxy-benz-yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate.

Ha Kwang K  

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5


The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth-oxy-6-methyl-phenol 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-eth-oxy-phenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.  ...[more]

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