Preparation, Mechanism, and Supramolecular Structure Study of a Novel Benzimidazole-Hydrate

Abstract

A novel bis[2-(2-chloro-4-fluorophenyl)-1H-Benzimidazole]-hydrate was prepared from Schiff base, and its single crystalline was obtained. The single crystalline was characterized by X-ray crystallography, and the results shows that the title complex belongs to the triclinic system, space group (P1) with lattice parameters a = 7.592(2) A, b = 7.595(2) A, c = 11.886 (3) A, V = 574(3) A3, Mr = 352.33, Dc = 1.478 g/cm3, μ(MoKα) = 0.33 mm−1, F(000) = 262, Z = 1, the final R = 0.090 and wR = 0.209 for 2,315 observed reflections (I > 2σ(I)). The crystal structure is formed by two benzimidazole molecules which are linked by a water molecule. A UV–Vis spectrophotometer and a fluorophotometer were used to detect the benzimizadole-hydrate crystal transformation process, which shows that benzimidazole-hydrate can only be formed from Schiff base effectively when ortho-hydroxyl group does not exist in benzaldehyde. The synthesis mechanism was also discussed. Compared with its Schiff base, benzimidazole-hydrate displays stronger fluorescence. A novel bis[2-(2-chloro-4-fluorophenyl)-1H-Benzimidazole]-hydrate was prepared, and its single crystalline was obtained and characterized. Its synthesis mechanism was also discussed briefly.