Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1H-1,2,4-triazole-3-carboxyl-ato)copper(II)

二水合双(5-甲基-1H-1,2,4-三唑-3-羧酸根)铜(II)的晶体结构和Hirshfeld表面分析

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Abstract

The title compound, [Cu(HL)(2)(H(2)O)(2)] or [Cu(C(4)H(4)N(3)O(2))(2)(H(2)O)(2)], is a mononuclear octa-hedral Cu(II) complex based on 5-methyl-1H-1,2,4-triazole-3-carb-oxy-lic acid (H(2) L). [Cu(HL)(2)(H(2)O)(2)] was synthesized by reaction of H(2) L with copper(II) nitrate hexa-hydrate (2:1 stoichiometric ratio) in water under ambient conditions to produce clear light-blue crystals. The central Cu atom exhibits an N(2)O(4) coordination environment in an elongated octa-hedral geometry provided by two bidentate HL (-) anions in the equatorial plane and two water mol-ecules in the axial positions. Hirshfeld surface analysis revealed that the most important contributions to the surface contacts are from H⋯O/O⋯H (33.1%), H⋯H (29.5%) and H⋯N/N⋯H (19.3%) inter-actions.

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