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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10626959 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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