Crystal structure and Hirshfeld surface analysis of bis(3-aminopyrazole-κ N 1 )bis(3-aminopyrazole-κ N 2 )bis(nitrato-κ O )copper(II)

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 79; no. 11; pp. 1100 - 1103
• Main Authors: Kucheriv, Olesia I., Golenya, Irina A., Prysiazhna, Olena, Partsevska, Sofiia V., Gural'skiy, Il'ya A.
• Format: Journal Article
• Language: English
• Published: International Union of Crystallography 01.11.2023
• Subjects: copper(ii); crystal structure; jahn–teller distortion; pyrazole complex; Research Communications
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989023009295

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 2 c of space group P 2 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.