Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate
The title hydrated mol-ecular salt, C<sub>19</sub>H<sub>15</sub>N<sub>4</sub> <sup>+</sup>·Cl<sup>-</sup>·2.5H<sub>2</sub>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<sub>2</sub>O)<sub>2</sub>Cl<sub>2</sub> rings as well as (H<sub>2</sub>O)<sub>4</sub> chains. An unusual O-H⋯π inter-action and weak C-H⋯O and C-H⋯Cl hydrogen bonds are also observed.
Authors
- Rao M. Uppu (ORCID: https://orcid.org/0000-0003-1940-7161)
- S.A. Babu (ORCID: https://orcid.org/0000-0002-5294-7533)
- Frank Rolf Fronczek (ORCID: https://orcid.org/0000-0001-5544-2779)
- Krishnaveni Chikkula
- Soheil Saneei
Institutions
- Louisiana State University (US)
- Southern University and Agricultural and Mechanical College (US)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2024-09-30
- DOI
- https://doi.org/10.1107/s205698902400940x
- Citations
- 1
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.16
Funders
- National Science Foundation
- Division of Chemistry
- Core Research for Evolutional Science and Technology