Title of article :
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate
Author/Authors :
Qadir, Adnan M. Department of Chemistry - College of Science - Salahaddin University, Erbil, Iraq , Kansiz, Sevgi Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Rosair, Georgina M. Institute of Chemical Sciences - School of Engineering & Physical Sciences - Heriot-Watt University, UK , Dege, Necmi Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Iskenderov, Turganbay S. Department of Chemistry - Taras Shevchenko National University of Kyiv - Kiev 01601, Ukraine
Abstract :
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%).
Keywords :
crystal structure , copper(II) , ethylenediamine , 2-nitrobenzoate , Hirshfeld surface
Journal title :
Acta Crystallographica Section E: Crystallographic Communications