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
Pages :
20
From page :
1
To page :
20
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
Serial Year :
2020
Full Text URL :
Record number :
2624581
Link To Document :
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