Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(H2L)2(μ-Cl)CuCl3]·H2O [H2L = 2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]

Abstract

The synthesis and structural characterization of a dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂L)₂(μ-Cl)CuCl₃]·H₂O is reported

The present study focuses on the synthesis and structural characterization of a novel dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂L)₂(μ-Cl)CuCl₃]·H₂O [H₂L = 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.