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

A novel three‐dimensional framework of 2‐(1H‐imidazol‐1‐yl)methyl]‐1H‐benzimidazole dihydrate, C₁₁H₁₀N₄·2H₂O or L·2H₂O, (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 H₂O. 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.