Synthesis, crystal structure and Hirshfeld surface analysis of the [Cu2(3,5-dimethyl-1H-pyrazole)4(ClO4)2] complex

Abstract

A new crystalline [Cu I 2 (DIMPA) 4 (ClO 4) 2 ] complex has been obtained by the alternating-current electrochemical technique from a water-ethanol solution of 3,5-dimethyl-1H-pyrazole (DIMPA) and Cu(ClO 4) 2 , and its crystal has been studied by single-crystal X-ray diffraction. The crystal structure is monoclinic, space group P2 1 /n, Z = 4, a = 13.834(3), b = 10.170(3), c = 20.610(5) Å, β = 96.13(3)°, V = 2883.1(13) Å 3 (at 100 K). The two independent Cu(I) atoms adopt different coordination environments, formed by two N atoms of two neighboring DIMPA molecules and one or two O atoms of a ClO 4 anion. To analyze the hydrogen bonding pattern in the structure, a Hirshfeld surface analysis was performed.