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

In the title compound, di­aqua­bis­(ethyl­enedi­amine-κ(2) N,N′)copper(II) bis­(2-nitro­benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(2), two di­aqua­bis­(ethyl­enedi­amine)­copper(II) cations and four nitro­benzoate anions are present in the asymmetric unit. All four anions are ‘whole-m...

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Detalles Bibliográficos
Autores principales: Qadir, Adnan M., Kansiz, Sevgi, Rosair, Georgina M., Dege, Necmi, Iskenderov, Turganbay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944094/
https://www.ncbi.nlm.nih.gov/pubmed/31921462
http://dx.doi.org/10.1107/S2056989019016669
Descripción
Sumario:In the title compound, di­aqua­bis­(ethyl­enedi­amine-κ(2) N,N′)copper(II) bis­(2-nitro­benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(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 Cu(II) 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%).