Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II)

Abstract

A new metal complex, [Cu(NO3)2(C6H6N2O2)2(H2O)2], was synthesized from water–ethanol solutions of Cu(NO3)2 and 4-nitroaniline (PNA). The complex molecules are located on inversion centers in monoclinic crystals with space group P21/c. The copper(II) ions are monodentately coordinated by two neutral PNA molecules through the nitrogen atom of the amino group, two NO3 − anions and two water molecules. The coordination polyhedron of the central ion is a distorted octahedron as a result of the Jahn–Teller effect. There is a weak intramolecular hydrogen bond between the N—H group and the oxygen atom of one nitrate anion. Six relatively weak intermolecular hydrogen bonds associate the complex molecules into a three-dimensional network. The Hirshfeld surface analysis indicates that 55.8% of the intermolecular interactions are from O...H/H...O contacts, 13.3% are from H...H contacts while other contributions are from C...O/O...C, C...H/H...C, O...O and other contacts.