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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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 |
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%). |
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