Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl-enedi-amine and non-coordinated benzoate.

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作者:Qadir Adnan M, Kansiz Sevgi, Rosair Georgina M, Dege Necmi, Iskenderov Turganbay S
In the title compound, di-aqua-bis-(ethyl-enedi-amine-κ(2) N,N')copper(II) bis-(2-nitro-benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(2), two di-aqua-bis-(ethyl-enedi-amine)-copper(II) cations and four nitro-benzoate anions are present in the asymmetric unit. All four anions are 'whole-mol-ecule' 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 octa-hedral 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 inter-molecular 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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