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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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Detalles Bibliográficos
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
Descripción
Sumario: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.