Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate

• Main Authors: Adnan M. Qadir, Sevgi Kansiz, Georgina M. Rosair, Necmi Dege, Turganbay S. Iskenderov
• Format: Article
• Language: English
• Published: International Union of Crystallography 2020-01-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; copper(ii); ethylenediamine; 2-nitrobenzoate; hirshfeld surface
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989019016669

In the title compound, diaquabis(ethylenediamine-κ2N,N′)copper(II) bis(2-nitrobenzoate), [Cu(C2H8N2)2(H2O)2](C7H4NO4)2, two diaquabis(ethylenediamine)copper(II) cations and four nitrobenzoate anions are present in the asymmetric unit. All four anions are `whole-molecule' disordered over two sets of sites. The major components have refined occupancies of 0.572 (13), 0.591 (9), 0.601 (9) and 0.794 (10). The CuII ions exhibit slightly distorted octahedral geometries. In the crystal, cations and anions are connected to each other via N—H...O and O—H...O hydrogen bonds, forming a two-dimensional network parallel to (200). The intermolecular contacts in the crystal were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are O...H/H...O (42.9%), followed by H...H (35.7%), C...H/H...C (14.2%), C...C (2.9%), C...O/O...C (2.2%), N...H/H...N (0.9%) and N...O/O...N (0.3%).