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4-(1H-Benzimidazol-2-ylmeth-oxy)-3-meth-oxy-benzaldehyde tetra-hydrate.

ABSTRACT: In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9?(1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559?(4) and 0.441?(4). In the crystal, extensive inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds in concert with weak ?-? stacking inter-actions [centroid-centroid distances = 3.6104?(9), 3.6288?(9) and 3.9167?(10)?Å] create a three-dimensional network.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3213473 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

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4-(1H-Benzimidazol-2-ylmeth-oxy)-3-meth-oxy-benzaldehyde tetra-hydrate.

Jasinski Jerry P JP Golen James A JA Samshuddin S S Samshuddin S S Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds in concert with weak π-π stacking inter-actions [centroid-centroid distances = 3.6104 (9), 3.6288 (9) and 3.9167 (10) Å] create a three-dimensional network ...[more]

PMID: 22091052

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