Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2'-(4-1,2,4-triazole-3,5-di-yl)di-acetate.

The title compound, bis-[μ-2,2'-(4-1,2,4-triazole-3,5-di-yl)di-acetato]-bis-[di-aqua-copper(II)] dihydrate, [Cu(CHNO)(HO)]·2HO, is a dinuclear octa-hedral Cu triazole-based complex. The central copper atoms are hexa-coordinated by two nitro-gen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxyl-ate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water mol-ecules. Two additional solvent water mol-ecules are linked to the title mol-ecule by O-H⋯N and O⋯H-O hydrogen bonds.

Crystal structure of polymeric bis-(3-amino-1-pyrazole)-cadmium diiodide.

The reaction of cadmium iodide with 3-amino-pyrazole (3-apz) in ethano-lic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, -poly[[di-iodido-cadmium(II)]-bis-(μ-3-amino-1-pyrazole)-κ : ;κ : ], [CdI(CHN)] or [CdI(3-apz)] . Its asymmetric unit consists of a half of a Cd cation, an iodide anion and a 3-apz mol-ecule. The Cd cations are coordinated by two iodide anions and two 3-apz ligands, generating -CdNI octa-hedra, which are linked into chains by pairs of the bridging ligands.

Crystal structure of polymeric bis-(3-amino-1-pyrazole)-cadmium dibromide.

The reaction of cadmium bromide tetra-hydrate with 3-amino-pyrazole (3-apz) in ethano-lic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, -poly[[di-bromido-cadmium(II)]-bis-(μ-3-amino-1-pyrazole)-κ : ;κ : ], [CdBr(CHN)] or [CdBr(3-apz)]. Its asymmetric unit consists of a half of a Cd cation, a bromide anion and a 3-apz mol-ecule. The Cd cations are coordinated by two bromide anions and two 3-apz ligands, generating -CdNBr octa-hedra, which are linked into chains by pairs of the bridging ligands.

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

The title compound, [Cu(H)(HO)] or [Cu(CHNO)(HO)], is a mononuclear octa-hedral Cu complex based on 5-methyl-1-1,2,4-triazole-3-carb-oxy-lic acid (H ). [Cu(H)(HO)] was synthesized by reaction of H 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 NO coordination environment in an elongated octa-hedral geometry provided by two bidentate H anions in the equatorial plane and two water mol-ecules in the axial positions.

Carbon dioxide capture from air leading to bis-[-(5-methyl-1-pyrazol-3-yl-κ)carbamato-κ]copper(II) tetra-hydrate.

A mononuclear square-planar Cu complex of (5-methyl-1-pyrazol-3-yl)carbamate, [Cu(CHNO)]·4HO, was synthesized using a one-pot reaction from 5-methyl-3-pyrazolamine and copper(II) acetate in water under ambient conditions. The adsorption of carbon dioxide from air was facilitated by the addition of di-ethano-lamine to the reaction mixture. While di-ethano-lamine is not a component of the final product, it plays a pivotal role in the reaction by creating an alkaline environment, thereby enabling the adsorption of atmos-pheric carbon dioxide.

-Poly[[tetra-kis-(3,5-dimethyl-1-pyrazole-κ )copper(II)]-μ-sulfato-κ :']: crystal structure and Hirshfeld surface analysis of a Cu coordination polymer.

The title coordination polymer, [Cu(SO)(CHN)] , was synthesized using a one-pot reaction of copper powder, anhydrous copper(II) sulfate and 3,5-dimethyl-1-pyrazole (Hdmpz) in aceto-nitrile under ambient conditions. The asymmetric unit can be described as a chain consisting of four [Cu(SO)(Hdmpz)] formula units that are connected to each other by a μ-sulfato-bridged ligand. The octa-hedral coordination geometry (ON) of all copper atoms is realized by coordination of four pyrazole ligands and two sulfate ligands.

Crystal structure and Hirshfeld surface analysis of di-μ-chlorido-bis-[(aceto-nitrile-κ)chlorido-(ethyl 5-methyl-1-pyrazole-3-carboxyl-ate-κ ,)copper(II)].

The title compound, [CuCl(CHNO)(CHCN)] or [Cu(μ-Cl)(CH-Pz-COOCHCH)Cl(CHCN)], was synthesized using a one-pot reaction of copper powder, copper(II) chloride dihydrate and ethyl 5-methyl-1-pyrazole-3-carboxyl-ate (CH-Pz-COOCHCH) in aceto-nitrile under ambient conditions. This complex consists of discrete binuclear mol-ecules with a {Cu(μ-Cl)} core, in which the Cu⋯Cu distance is 3.8002 (7) Å.

Crystal structure of bis-{μ-2-[bis-(2-hy-droxy-eth-yl)amino]-ethano-lato}bis-(μ-3,5-di-methyl-pyrazolato)tricopper(II) dibromide sesquihydrate.

In the title bicyclic trinuclear pyrazolate amino-alcohol complex, [Cu(CHN)(CHNO)]Br·1.5HO, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetra-hedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different amino-alcohol groups, and by the N atoms of deprotonated di-methyl-pyrazole ligands.

Crystal structure of di-chlorido-1κ,2κ-(μ-3,5-dimethyl-1-pyrazolato-1κ :2κ )(3,5-dimethyl-1-pyrazole-2κ ){μ-2-[(2-hy-droxy-eth-yl)amino-1κ ,]ethano-lato-1:2κ :}dicopper(II).

The title compound, [Cu(CHN)(CHNO)Cl(CHN)], is a pyrazolate amino-alcohol complex which contains two di-methyl-pyrazole mol-ecules in monodentate and bidentate-bridged coordination modes and a monodeproton-ated di-ethano-lamine mol-ecule. Both copper atoms are involved in the formation of non-planar five-membered chelate rings. One Cu atom is in a distorted tetra-hedral environment formed by the pyridine nitro-gen atom of the protonated di-methyl-pyrazole mol-ecule, the N atom of the deprotonated bridged di-methyl-pyrazole, the Cl atom and the bridged O atom of the monodeprotonated di-ethano-lamine.