Crystal structure and Hirshfeld surface analysis of di-μ-chlorido-bis[(acetonitrile-κN)chlorido(ethyl 5-methyl-1H-pyrazole-3-carboxylate-κ2N2,O)-copper(II)]

The title compound, [Cu2Cl4(C5H10N2O2)(2)(CH3CN)(2)] or [Cu-2(mu(2)-Cl)(2)(CH3-Pz-COOCH2CH3)(2)Cl-2(CH3CN)(2)], was synthesized using a one-pot reaction of copper powder, copper(II) chloride dihydrate and ethyl 5-methyl-1H-pyrazole-3-carboxylate (CH3-Pz-COOCH2CH3) in acetonitrile under ambient conditions. This complex consists of discrete binuclear molecules with a {Cu-2(mu(2)-Cl)(2)} core, in which the Cu center dot center dot center dot Cu distance is 3.8002 (7) angstrom. The pyrazole-based ligands are bidentate coordinated, leading to the formation of two five-membered chelate rings. The coordination geometry of both copper atoms (ON2Cl3) can be described as distorted octahedral on account of the acetonitrile coordination. A Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H center dot center dot center dot H (40%), H center dot center dot center dot Cl/Cl center dot center dot center dot H (24.3%), H center dot center dot center dot O/O center dot center dot center dot H (11.8%), H center dot center dot center dot C/C center dot center dot center dot H (9.2%) and H center dot center dot center dot N/N center dot center dot center dot H (8.3%) interactions.