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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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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
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author Vynohradov, Oleksandr S.
Dovzhik, Artur
Pavlenko, Vadim A.
Naumova, Dina D.
Golenya, Irina A.
Shova, Sergiu
author_facet Vynohradov, Oleksandr S.
Dovzhik, Artur
Pavlenko, Vadim A.
Naumova, Dina D.
Golenya, Irina A.
Shova, Sergiu
author_sort Vynohradov, Oleksandr S.
collection PubMed
description 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.
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spelling pubmed-89839812022-04-28 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 Vynohradov, Oleksandr S. Dovzhik, Artur Pavlenko, Vadim A. Naumova, Dina D. Golenya, Irina A. Shova, Sergiu Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2022-03-24 /pmc/articles/PMC8983981/ /pubmed/35492287 http://dx.doi.org/10.1107/S2056989022002894 Text en © Vynohradov et al. 2022 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
Vynohradov, Oleksandr S.
Dovzhik, Artur
Pavlenko, Vadim A.
Naumova, Dina D.
Golenya, Irina A.
Shova, Sergiu
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983981/
https://www.ncbi.nlm.nih.gov/pubmed/35492287
http://dx.doi.org/10.1107/S2056989022002894
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