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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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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
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author Sirenko, Valerii Y.
Kuzevanova, Iryna S.
Vynohradov, Oleksandr S.
Naumova, Dina D.
Shova, Sergiu
author_facet Sirenko, Valerii Y.
Kuzevanova, Iryna S.
Vynohradov, Oleksandr S.
Naumova, Dina D.
Shova, Sergiu
author_sort Sirenko, Valerii Y.
collection PubMed
description 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.
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spelling pubmed-106269532023-11-07 Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate Sirenko, Valerii Y. Kuzevanova, Iryna S. Vynohradov, Oleksandr S. Naumova, Dina D. Shova, Sergiu Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2023-10-05 /pmc/articles/PMC10626953/ /pubmed/37936838 http://dx.doi.org/10.1107/S2056989023008575 Text en © Sirenko et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Sirenko, Valerii Y.
Kuzevanova, Iryna S.
Vynohradov, Oleksandr S.
Naumova, Dina D.
Shova, Sergiu
Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title_full Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title_fullStr Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title_full_unstemmed Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title_short Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN (2))carbamato-κO]copper(II) tetra­hydrate
title_sort carbon dioxide capture from air leading to bis­[n-(5-methyl-1h-pyrazol-3-yl-κn (2))carbamato-κo]copper(ii) tetra­hydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626953/
https://www.ncbi.nlm.nih.gov/pubmed/37936838
http://dx.doi.org/10.1107/S2056989023008575
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