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catena-Poly[[tetra­kis­(3,5-dimethyl-1H-pyrazole-κN (2))copper(II)]-μ(2)-sulfato-κ(2) O:O′]: crystal structure and Hirshfeld surface analysis of a Cu(II) coordination polymer

The title coordination polymer, [Cu(SO(4))(C(5)H(8)N(2))(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 fou...

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Detalles Bibliográficos
Autores principales: Vynohradov, Oleksandr S., Dovzhik, Artur, Pavlenko, Vadim A., Naumova, Dina D., Golenya, Irina A., Shova, Sergiu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983981/
https://www.ncbi.nlm.nih.gov/pubmed/35492287
http://dx.doi.org/10.1107/S2056989022002894
Descripción
Sumario:The title coordination polymer, [Cu(SO(4))(C(5)H(8)N(2))(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(SO(4))(Hdmpz)(4)] formula units that are connected to each other by a μ(2)-sulfato-bridged ligand. The octa­hedral coordination geometry (O(2)N(4)) 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 SO(4) 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.