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

Autor: Uppu RM; Department of Environmental Toxicology Southern University and A&M College Baton Rouge LA 70813 USA., Chikkula K; Department of Environmental Toxicology Southern University and A&M College Baton Rouge LA 70813 USA., Saneei S; Department of Environmental Toxicology Southern University and A&M College Baton Rouge LA 70813 USA., Babu S; Department of Environmental Toxicology Southern University and A&M College Baton Rouge LA 70813 USA., Fronczek FR; Department of Chemistry Louisiana State University,Baton Rouge LA 70803 USA.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2024 Sep 30; Vol. 80 (Pt 10), pp. 1097-1100. Date of Electronic Publication: 2024 Sep 30 (Print Publication: 2024).
DOI: 10.1107/S205698902400940X
Abstrakt: The title hydrated mol-ecular salt, C 19 H 15 N 4 + ·Cl - ·2.5H 2 O, 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 (H 2 O) 2 Cl 2 rings as well as (H 2 O) 4 chains. An unusual O-H⋯π inter-action and weak C-H⋯O and C-H⋯Cl hydrogen bonds are also observed.
(© Uppu et al. 2024.)
Databáze: MEDLINE
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