An ice‐like water hexamer with symmetry in the hydrogen‐bonded structure of 2,3,5,6‐tetrafluoro‐1,4‐bis(imidazol‐1‐ylmethyl)benzene dihydrate

An ice‐like hexameric water cluster, stabilized by the flexible bis‐imidazolyl compound 2,3,5,6‐tetrafluoro‐1,4‐bis(imidazol‐1‐ylmethyl)benzene (Fbix), is found in the trigonal R crystal structure of the title compound, C₁₄H₁₀F₄N₄·2H₂O or Fbix·2H₂O. The Fbix molecule lies about an inversion centre with one water molecule in the asymmetric unit in a general position. A cyclic chair‐like hexameric water cluster with symmetry is generated with a hydrogen‐bonded O...O distance within the hexamer of 2.786 (3) Å. The Fbix molecule adopts a trans conformation, where the imidazole ring makes a dihedral angle of 70.24 (11)° with the central tetrafluorinated aromatic ring. Each water hexamer is connected by six Fbix molecules through intermolecular O—H...N hydrogen bonds N...O = 2.868 (3) Å] to yield a three‐dimensional supramolecular network with primitive cubic (pcu) topology. Large voids in each single pcu network lead to fourfold interpenetrated aggregates of Fbix·2H₂O.