Title of article
Crystal structure and Hirshfeld surface analysis of 4,4′-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)
Author/Authors
Senchyk, Ganna A. Inorganic Chemistry Department - National Taras Shevchenko University of Kyiv, Ukraine , Lysenko, Andrey B. Inorganic Chemistry Department - National Taras Shevchenko University of Kyiv, Ukraine , Krautscheid, Harald Institute of Inorganic Chemistry - Leipzig University, Germany , Domasevitch, Kostiantyn V. Inorganic Chemistry Department - National Taras Shevchenko University of Kyiv, Ukraine
Pages
10
From page
1
To page
10
Abstract
In the structure of the title salt, (C7H12N6)[VOF5], second-order Jahn–Teller distortion of the coordination octahedra around V ions is reflected by coexistence of short V—O bonds [1.5767 (12) Å] and trans-positioned long V—F bonds [2.0981 (9) Å], with four equatorial V—F distances being intermediate in magnitude [1.7977 (9)–1.8913 (9) Å]. Hydrogen bonding of the anions is restricted to F-atom acceptors only, with particularly strong N–H⋯F interactions [N⋯F = 2.5072 (15) Å] established by axial and cis-positioned equatorial F atoms. Hirshfeld surface analysis indicates that the most important interactions are overwhelmingly H⋯F/F⋯H, accounting for 74.4 and 36.8% of the contacts for the individual anions and cations, respectively. Weak CH⋯F and CH⋯N bonds are essential for generation of three-dimensional structure.
Keywords
crystal structure , pentafluoridooxidovanadate(V) , 1,2,4-triazole , hydrogen bonding , Hirshfeld surface
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2020
Record number
2623571
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