A novel three-dimensional framework constructed by 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and infinite chains of hydrogen-bonded water molecules

Abstract

A novel three-dimensional framework of 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole dihydrate, C(11)H(10)N(4).2H(2)O or L.2H(2)O, (I), in which L acts as both hydrogen-bond acceptor and donor in the supramolecular construction with water, has been obtained by self-assembly reaction of L with H(2)O. The two independent water molecules are hydrogen bonded alternately with each other to form a one-dimensional infinite zigzag water chain. These water chains are linked by the benzimidazole molecules into a three-dimensional framework, in which each organic molecule is hydrogen bonded by three water molecules. This study shows that the diversity of hydrogen-bonded patterns plays a crucial role in the formation of the three-dimensional framework. More significantly, as water molecules are important in contributing to the conformation, stability, function and dynamics of biomacromolecules, the infinite chains of hydrogen-bonded water molecules seen in (I) may be a useful model for water in other chemical and biological processes.