The title compound, [Cu2(C5H7N2)(C4H10NO2)Cl2(C5H8N2)], is a pyrazolate aminoalcohol complex which contains two dimethylpyrazole molecules in monodentate and bidentate-bridged coordination modes and a monodeprotonated diethanolamine molecule. Both copper atoms are involved in the formation of non-planar five-membered chelate rings. One Cu atom is in a distorted tetrahedral environment formed by the pyridine nitrogen atom of the protonated dimethylpyrazole molecule, the N atom of the deprotonated bridged dimethylpyrazole, the Cl atom and the bridged O atom of the monodeprotonated diethanolamine. The second Cu atom has an intermediate environment between trigonal bipyramidal and square pyramidal, formed by the N atom of the deprotonated bridged dimethylpyrazole, the Cl atom and the N atom of the aminoalcohol, and two O atoms of the deprotonated and protonated OH groups. In the crystal, N—H...Cl hydrogen bonds link the molecules into antisymmetric chains running along the a-axis direction. Adjacent chains are connected by O—H...O hydrogen bonds involving the hydroxyl group as donor.
In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, 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 tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal–bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine. One of the C atoms and the Br− anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.
The title coordination polymer, [Cu(SO4)(C5H8N2)4]
n
, was synthesized using a one-pot reaction of copper powder, anhydrous copper(II) sulfate and 3,5-dimethyl-1H-pyrazole (Hdmpz) in acetonitrile under ambient conditions. The asymmetric unit can be described as a chain consisting of four [Cu(SO4)(Hdmpz)4] formula units that are connected to each other by a μ2-sulfato-bridged ligand. The octahedral coordination geometry (O2N4) of all copper atoms is realized by coordination of four pyrazole ligands and two sulfate ligands. Four pyridine-like N atoms of the pyrazole ligands occupy the equatorial positions, while two oxygen atoms of two sulfate ligands are in axial positions. As a result of the sulfate ligand rotation, there is a pairwise alternation of terminal O atoms (which are not involved in coordination to the copper atom) of the SO4 tetrahedra. The Cu...Cu distances within one asymmetric unit are in the range 7.0842 (12)–7.1554 (12) Å. The crystal structure is built up from polymeric chains packed in a parallel manner along the b-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H...H (74.7%), H...O/O...H (14.8%) and H...C/C...H (8.2%) interactions.
The title compound, [NiCl2(C4H6N2)4]·2CH3CN, is a mononuclear octahedral NiII pyrazole-based complex. Two acetonitrile molecules are linked to the NiII complex by N—H...N hydrogen bonds. The NiII atom is octahedrally coordinated by four N atoms of four 4-methyl-1H-pyrazole ligands, forming the equatorial plane. The axial positions are occupied by two Cl atoms. [NiCl2(C4H6N2)4]·2CH3CN was synthesized by the reaction of 4-methyl-1H-pyrazole with nickel(II) chloride hexahydrate in acetonitrile solution under ambient conditions and characterized by single-crystal X-ray diffraction analysis. A Hirshfeld surface analysis was performed, which suggests that the most important contributions to the surface contacts are from H...H (62.1%), H...N/N...H (13.7%), H...C/C...H (13.4%) and H...Cl/Cl...H (10.1%) interactions.
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