Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans -di-aqua-[2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole]di-thio-cyanato-nickel(II)

Acta Crystallographica. Section E, Crystallographic Communications
Ferdaousse RhoufalLahcen El Ammari

Abstract

The reaction of 2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole (4-pox) and thio-cyanate ions, used as co-ligand with nickel salt NiCl2·6H2O, produced the title complex, [Ni(NCS)2(C12H8N4O)2(H2O)2]. The NiII atom is located on an inversion centre and is octa-hedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water mol-ecules. In the crystal, the mol-ecules are linked into a three-dimensional network through strong O-H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the inter-molecular inter-actions in the crystal packing.

References

Nov 13, 2003·Journal of the American Chemical Society·Tian-Fu LiuYong-Jiang Liu
Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Sep 8, 2010·European Journal of Medicinal Chemistry·Keshari Kishore JhaPriyanka Singh
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Jun 20, 2015·Journal of Applied Crystallography·Lennard KrauseDietmar Stalke
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward

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