Rao M Uppu , Krishnaveni Chikkula , Soheil Saneei , Sainath Babu , Frank R. Fronczek
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Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate
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.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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