Crystal structure and Hirshfeld surface analysis of dichloridotetrakis(4-methyl-1H-pyrazole-κN²)- nickel(II) acetonitrile disolvate.

Autor: Vynohradov, Oleksandr S., Davydenko, Yuliya M., Pavlenko, Vadim A., Naumova, Dina D., Shova, Sergiu, Petlovanyi, Denys
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Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Dec2022, Vol. 78 Issue 12, p1156-1160, 10p
Abstrakt: The title compound, [NiCl2(C4H6N2)4]·2CH3CN, is a mononuclear octahedral NiII pyrazole-based complex. Two acetonitrile molecules are linked to the NiII complex by N--H· · ·N hydrogen bonds. The NiII atom is octahedrally coordinated by four N atoms of four 4-methyl-1H-pyrazole ligands, forming the equatorial plane. The axial positions are occupied by two Cl atoms. [NiCl2(C4H6N2)4]·2CH3CN was synthesized by the reaction of 4-methyl-1Hpyrazole with nickel(II) chloride hexahydrate in acetonitrile solution under ambient conditions and characterized by single-crystal X-ray diffraction analysis. A Hirshfeld surface analysis was performed, which suggests that the most important contributions to the surface contacts are from H· · ·H (62.1%), H· · ·N/N· · ·H (13.7%), H· · ·C/C· · ·H (13.4%) and H· · ·Cl/Cl· · ·H (10.1%) interactions. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index