Halogen-bonded network of trinuclear copper(II) 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars

Abstract

Acidity created by the decomposition of chloro­form solvent leads to breakdown of (Bu4N)2[{CuII(μ-OH)(μ-4-I-pz)}nCO3] (n = 27–31) nanojars in a chloro­form/1,4-dioxane solution to the trinuclear complex (Bu4N)2[Cu3(μ 3-Cl)2(μ-4-I-pz)3Cl3]·0.5dioxane, which forms extended sheets based on C—I⋯Cl—Cu halogen bonding and C—H⋯Cl—Cu hydrogen bonding.

Evaluation of Electron Density Shifts in Noncovalent Interactions

“…In recent years, a number of new noncovalent interactions have been described . Their naming is derived from the periodic table column associated with the Lewis acid atoms involved in the interaction: halogen, − chalcogen, − pnicogen, − tetrel, ,− triel, , spodium, regium, − alkali-earth, , and alkali bonds correspond to the interaction between an electron donor group and an atom in the Lewis acid that belongs to columns 16–11, 2 and 1 of the periodic table, respectively.…”

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

“…Pyrazoles can form structures of various nuclearities, ranging from mononuclear (Mighell et al, 1975;Liu et al, 2001;Małecka et al, 2003) to polynuclear complexes (He, 2011;Contaldi et al, 2009;Chandrasekhar et al, 2008) and metallacycles (Vynohradov et al, 2020a;Surmann et al, 2016;Galassi et al, 2012) with specific molecular topologies. By performing the synthesis of metal complexes by oxidative dissolution of metals, commonly known as direct synthesis (Kokozay et al, 2018;Plyuta et al, 2020;Sirenko et al, 2020;Li et al, 2021), copper can be introduced in a zerovalent state.…”

Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study

“…The search shows a total of thirteen crystal structures with the presence of halogen atoms in apical disposition interacting with copper (II) atoms linking the pyrazole rings. Of those structures, only one exhibited fluoride anions (CCDC refcode HUXWUU [94]), chloride is present in 10 crystal structures (JALKIT [95], OBOQAY [96], OBOQEC [96], OBOQIG [96], RETQIR [97], RUYGUN [98], RUYHAU [98], UWOMAW [99], VADYAB [100] and VAZCUX [101]) and bromide in two (ELODIS [102] and ELODOY [102]). It was observed that, in all these cases, two of the anions were simultaneously interacting with a single (Pz-M) 3 molecule in the apical position as shown in Figure 8.…”