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2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

ABSTRACT: In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021?(2)?Å], making a dihedral angle of 84.32?(7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03?(5)°. The dihedral angle between the benzene rings is 82.20?(9)°. The compound reveals strong intra-molecular O-H?N and O-H?O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains along the b axis.

SUBMITTER: Ha K

PROVIDER: S-EPMC3379470 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03 (5)°. The dihedral angle between the benzene rings is 82.20 (9)°. The compound reveals strong intra-molecular O-H⋯N and O-H⋯O hydro ...[more]

PMID: 22719668

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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.

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Project description:The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy-droxy-ethyl chain with the C-C-C-O torsion angle being -68.0 (12)° in mol-ecule A and 172.2 (9)° in mol-ecule B. In the crystal, the A mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers, while the B mol-ecules are linked via an O-H⋯O hydrogen bond, forming a polymeric chain propagating in [010]. In addition, there are O-H⋯O and O-H⋯Br hydrogen bonds, and Br⋯Br [3.599 (2) Å] and π-π inter-actions [centroid-centroid distances = 3.581 (6) and 3.931 (6) Å], leading to the formation of a two-dimensional network parallel to (001).

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