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Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)

In the crystal structure of the title compound, [Cu(NO(3))(2)(C(3)H(5)N(3))(4)], the Cu(II) atom is situated on an inversion center (Wyckoff position 2c of space group P2(1)/n) and shows an octa­hedral [N(4)O(2)] coordination environment. The axial positions are occupied by O atoms of nitrate anions...

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Autores principales: Kucheriv, Olesia I., Golenya, Irina A., Prysiazhna, Olena, Partsevska, Sofiia V., Gural’skiy, Il’ya A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626959/
https://www.ncbi.nlm.nih.gov/pubmed/37936845
http://dx.doi.org/10.1107/S2056989023009295
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author Kucheriv, Olesia I.
Golenya, Irina A.
Prysiazhna, Olena
Partsevska, Sofiia V.
Gural’skiy, Il’ya A.
author_facet Kucheriv, Olesia I.
Golenya, Irina A.
Prysiazhna, Olena
Partsevska, Sofiia V.
Gural’skiy, Il’ya A.
author_sort Kucheriv, Olesia I.
collection PubMed
description In the crystal structure of the title compound, [Cu(NO(3))(2)(C(3)H(5)N(3))(4)], the Cu(II) atom is situated on an inversion center (Wyckoff position 2c of space group P2(1)/n) and shows an octa­hedral [N(4)O(2)] coordination environment. The axial positions are occupied by O atoms of nitrate anions, while the equatorial positions are taken up by the N atoms of four 3-amino­pyrazole ligands. As a result of the tautomerism of the latter, two coordinate with the N(1)-atom of 3-amino­pyrazole while the other two with the N(2)-atom. The presence of pyrrole-like N—H groups and amine substituents as donor groups leads to numerous intra- and inter­molecular hydrogen-bonding inter­actions, which were qu­anti­fied by Hirshfeld surface analysis.
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spelling pubmed-106269592023-11-07 Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II) Kucheriv, Olesia I. Golenya, Irina A. Prysiazhna, Olena Partsevska, Sofiia V. Gural’skiy, Il’ya A. Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, [Cu(NO(3))(2)(C(3)H(5)N(3))(4)], the Cu(II) atom is situated on an inversion center (Wyckoff position 2c of space group P2(1)/n) and shows an octa­hedral [N(4)O(2)] coordination environment. The axial positions are occupied by O atoms of nitrate anions, while the equatorial positions are taken up by the N atoms of four 3-amino­pyrazole ligands. As a result of the tautomerism of the latter, two coordinate with the N(1)-atom of 3-amino­pyrazole while the other two with the N(2)-atom. The presence of pyrrole-like N—H groups and amine substituents as donor groups leads to numerous intra- and inter­molecular hydrogen-bonding inter­actions, which were qu­anti­fied by Hirshfeld surface analysis. International Union of Crystallography 2023-10-31 /pmc/articles/PMC10626959/ /pubmed/37936845 http://dx.doi.org/10.1107/S2056989023009295 Text en © Kucheriv 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
Kucheriv, Olesia I.
Golenya, Irina A.
Prysiazhna, Olena
Partsevska, Sofiia V.
Gural’skiy, Il’ya A.
Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title_full Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title_fullStr Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title_short Crystal structure and Hirshfeld surface analysis of bis­(3-aminopyrazole-κN (1))bis­(3-aminopyrazole-κN (2))bis­(nitrato-κO)copper(II)
title_sort crystal structure and hirshfeld surface analysis of bis­(3-aminopyrazole-κn (1))bis­(3-aminopyrazole-κn (2))bis­(nitrato-κo)copper(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626959/
https://www.ncbi.nlm.nih.gov/pubmed/37936845
http://dx.doi.org/10.1107/S2056989023009295
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