Crystal structure and Hirshfeld surface analysis of bis(3-aminopyrazole-κN1)bis(3-aminopyrazole-κN2)bis(nitrato-κO)copper(II)

Abstract

In the crystal structure of the title compound, [Cu(NO3)2(C3H5N3)4], the CuII atom is situated on an inversion center (Wyckoff position 2c of space group P21/n) and shows an octahedral [N4O2] 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 N1-atom of 3-aminopyrazole while the other two with the N2-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.

Keywords

• crystal structure
• pyrazole complex
• copper(ii)
• jahn–teller distortion