Structure of 2,3,5-tri-phenyl-tetra-zol-3-ium chloride hemi-penta-hydrate.

ABSTRACT: The title hydrated mol-ecular salt, C₁₉H₁₅N₄ ⁺·Cl^-·2.5H₂O, has two tri-phenyl-tetra-zolium cations, two chloride anions and five water mol-ecules 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 mol-ecule [O⋯N = 3.1605 (15) Å], while the other cation accepts no hydrogen bonds. In the extended structure, the water mol-ecules are involved in centrosymmetric (H₂O)₂Cl₂ rings as well as (H₂O)₄ chains. An unusual O-H⋯π int

SUBMITTER: Uppu RM 

PROVIDER: S-EPMC11451482 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature