Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(H2 L)2(μ-Cl)CuCl3]·H2O [H2 L = 2-hydroxy-N′-(propan-2-ylidene)benzohydrazide]

Abstract

The present study focuses on the synthesis and structural characterization of a novel dinuclear CuII complex, [trichloridocopper(II)]-μ-chlorido-{bis[2-hydroxy-N′-(propan-2-ylidene)benzohydrazide]copper(II)} monohydrate, [Cu2Cl4(C10H12N2O2)2]·H2O or [Cu(H2 L)2(μ-Cl)CuCl3]·H2O [H2 L = 2-hydroxy-N′-(propan-2-ylidene)benzohydrazide]. The complex crystallizes in the monoclinic space group P21/n with one molecule of water, which forms interactions with the ligands. The first copper ion is penta-coordinated to two benzohydrazine-derived ligands via two nitrogen and two oxygen atoms, and one bridging chloride, which is also coordinated by the second copper ion alongside three terminal chlorines in a distorted tetrahedral geometry. The arrangement around the first copper ion exhibits a distorted geometry intermediate between trigonal bipyramidal and square pyramidal. In the crystal, chains are formed via intermolecular interactions along the a-axis direction, with subsequent layers constructed through hydrogen-bonding interactions parallel to the ac plane, and through slipped π–π stacking interactions parallel to the ab plane, resulting in a three-dimensional network. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis. Residual electron density from disordered methanol molecules in the void space could not be reasonably modelled, thus a solvent mask was applied.