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

 

Chem. Met. Alloys 9 (2016) 27-33

 

Mykhaylo LUKYANOV, Yurii SLYVKA, Vasyl KINZHYBALO, Marian MYSKIV

 

A new crystalline [CuI2(DIMPA)4(ClO4)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(ClO4)2, and its crystal has been studied by single-crystal X-ray diffraction. The crystal structure is monoclinic, space group P21/n, Z = 4, a = 13.834(3), b = 10.170(3), c = 20.610(5) Å, β = 96.13(3), V = 2883.1(13) Å3 (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 ClO4 anion. To analyze the hydrogen bonding pattern in the structure, a Hirshfeld surface analysis was performed.

 

 

Fragment of [Cu2(DIMPA)4(ClO4)2] crystal structure.

 

Keywords

Copper(I) / σ-Complex / Dimethylpyrazole / Crystal structure / AC-electrochemical technique / Hirshfeld surface analysis