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Crystal structure and Hirshfeld surface analysis of di-μ-chlorido-bis-[(aceto-nitrile-κN)chlorido-(ethyl 5-methyl-1H-pyrazole-3-carboxyl-ate-κ2 N 2,O)copper(II)].

Oleksandr S VynohradovVadim A PavlenkoOlesia I KucherivIrina A GolenyaDenys PetlovanyiSergiu G Shova
Published in: Acta crystallographica. Section E, Crystallographic communications (2021)
The title compound, [Cu2Cl4(C5H10N2O2)2(CH3CN)2] or [Cu2(μ2-Cl)2(CH3-Pz-COOCH2CH3)2Cl2(CH3CN)2], was synthesized using a one-pot reaction of copper powder, copper(II) chloride dihydrate and ethyl 5-methyl-1H-pyrazole-3-carboxyl-ate (CH3-Pz-COOCH2CH3) in aceto-nitrile under ambient conditions. This complex consists of discrete binuclear mol-ecules with a {Cu2(μ2-Cl)2} core, in which the Cu⋯Cu distance is 3.8002 (7) Å. 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 octa-hedral on account of the aceto-nitrile coordination. A Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯H (40%), H⋯Cl/Cl⋯H (24.3%), H⋯O/O⋯H (11.8%), H⋯C/C⋯H (9.2%) and H⋯N/N⋯H (8.3%) inter-actions.
Keyphrases
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