Nickel(II) Complex with a Flexidentate Ligand Derived from Acetohydrazide: Synthesis, Structural Characterization and Hirshfeld Surface Analysis

Abstract

The mononuclear Ni(II) complex [Ni(L p ) 2 (CH 3 OH) 2 ]Cl 2 has been synthesized by reacting 1-(5-hydroxy-3-methyl-5phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one ligand (HL) with NiCl 2 •6H 2 O in methanol solution. In the reaction, the tridentate ligand, HL, was converted in situ into 4-hydroxy-4-phenylbut-3-en-2-ylidene)acetohydrazid ligand, (pyrazole, L p ). The pyrazole ligand acts as bidentate neutral ligand and the hydroxyl group is left uncoordinated. The structure of the Ni(II) complex has been established by X-ray crystallography. The Ni(II) is six-coordinate and has a distorted octahedral geometry. It is bonded by two nitrogen and by two oxygen atoms of the two pyrazole ligands and two oxygen atoms of methanol molecules. The Hirshfeld surface analysis and the 2D the fingerprint plot are used to analyses all of the intermolecular contacts in the crystal structures. The main intermolecular contacts are H/H and Cl/H interactions.

Hydrogen Bonds in Bis(1H-benzimidazole-κN3)cadmium(II) Dibenzoate: Hirshfeld Surface Analysis and AIM Perspective

“…In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity, [34][35][36] and they were carried out and plotted using CrystalExplorer software. 20,[37][38][39][40][41] Hirshfeld surface analysis comprising d norm -and shape index-surfaces, and 2D fingerprint plots (FP).…”