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Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate

A mononuclear square-planar Cu(II) complex of (5-methyl-1H-pyrazol-3-yl)carbamate, [Cu(C(5)H(6)N(3)O(2))(2)]·4H(2)O, 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 facilitat...

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Detalles Bibliográficos
Autores principales: Sirenko, Valerii Y., Kuzevanova, Iryna S., Vynohradov, Oleksandr S., Naumova, Dina D., Shova, Sergiu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626953/
https://www.ncbi.nlm.nih.gov/pubmed/37936838
http://dx.doi.org/10.1107/S2056989023008575
Descripción
Sumario:A mononuclear square-planar Cu(II) complex of (5-methyl-1H-pyrazol-3-yl)carbamate, [Cu(C(5)H(6)N(3)O(2))(2)]·4H(2)O, 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 di­ethano­lamine to the reaction mixture. While di­ethano­lamine 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 atmos­pheric carbon dioxide. The central copper(II) atom is in an (N(2)O(2)) square-planar coordination environment formed by two N atoms and two O atoms of two equivalent (5-methyl-1H-pyrazol-3-yl)carbamate ligands. Additionally, there are co-crystallized water mol­ecules within the crystal structure of this compound. These co-crystallized water mol­ecules are linked to the Cu(II) mononuclear complex by O—H⋯O hydrogen bonds. According to Hirshfeld surface analysis, the most frequently observed weak inter­molecular inter­actions are H⋯O/O⋯H (33.6%), H⋯C/C⋯H (11.3%) and H⋯N/N⋯H (9.0%) contacts.