Structure of 2,3,5-tri­phenyl­tetra­zol-3-ium chloride hemi­penta­hydrate

Abstract

The packing of the title hydrated mol­ecular salt features an unusual O—H⋯π inter­action.

The title hydrated mol­ecular salt, C₁₉H₁₅N₄⁺·Cl⁻·2.5H₂O, has two tri­phenyl­tetra­zolium cations, two chloride anions and five water mol­ecules in the asymmetric unit. The cations differ in the conformations of the phenyl rings with respect to the heterocyclic core, most notably for the C-bonded phenyl ring, for which the N—C—C—C torsion angles differ by 36.4 (3)°. This is likely a result of one cation accepting an O—H⋯N hydrogen bond from a water mol­ecule [O⋯N = 3.1605 (15) Å], while the other cation accepts no hydrogen bonds. In the extended structure, the water mol­ecules are involved in centrosymmetric (H₂O)₂Cl₂ rings as well as (H₂O)₄ chains. An unusual O—H⋯π inter­action and weak C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.