A new polymorph of 1,4‐bis(imidazol‐1‐ylmethyl)benzene dihydrate and its hydrogen‐bonded fivefold interpenetrated CdSO4 network

Single crystals of a new polymorph of 1,4‐bis(imidazol‐1‐ylmethyl)benzene dihydrate (bix·2H₂O), C₁₄H₁₄N₄·2H₂O, have been obtained by the hydrothermal method. The asymmetric unit is composed of two independent half‐bix molecules, one on an inversion center and one on a twofold axial site, and two water molecules. The disordered water molecules link into discrete tetrameric water units via two O—H...O hydrogen bonds, forming planar R₄⁴(8) rings. These tetrameric water units and bix molecules are further linked by two O—H...N hydrogen bonds into a three‐dimensional network in which an (106) hydrogen‐bonded ring is observed. These large rings lead to the formation of a fivefold interpenetrated network. If both the tetrameric water units and the bix molecules can be regarded as connected nodes, one single three‐dimensional net can then be rationalized as a CdSO₄ network. This study indicates that topological methodology can be applied in some cases in order to understand the inherent characteristics of some hydrogen‐bonded supramolecular assemblies.