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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)]

Acta Cryst. 2021, 77 1153-1157

DOI: 10.1107/S2056989021010653

Vynohradov O.; Pavlenko V.; Kucheriv O.; Golenya I.; Petlovanyi D.; Shova S.

The title compound, [Cu2C14(C5H10N2O2)2(CH3CN)2] or [Cu22-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-carboxyl­ate (CH3—Pz-COOCH2CH3) in aceto­nitrile under ambient conditions. This complex consists of discrete binuclear mol­ecules with a {Cu22-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 octa­hedral on account of the aceto­nitrile 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%) inter­actions.

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