Abstract

In the title compound, di-aqua-bis-(ethyl-enedi-amine-κ2 N,N')copper(II) bis-(2-nitro-benzoate), [Cu(C2H8N2)2(H2O)2](C7H4NO4)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 CuII 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%).

Highlights

  • Carboxylates are employed in the synthesis of new transitionmetal complexes because they can stabilize them and display different coordination modes such as monodendate, bidendate, bridging and ionic

  • We report the synthesis, single crystal structure determination and Hirshfeld surface analysis of a copper(II) complex containing ethylenediamine and 2-nitrobenzoate

  • The CuII ion is coordinated by four N atoms of the ethylenediamine ligands which chelate the metal in the equatorial plane, and two axially coordinated water molecules forming a slightly distorted octahedral geometry

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Summary

Chemical context

Carboxylates are employed in the synthesis of new transitionmetal complexes because they can stabilize them and display different coordination modes such as monodendate, bidendate, bridging (syn–syn, syn–anti or anti–anti mode) and ionic. Copper(II) complexes containing ethylenediamine derivatives and carboxylate have shown antibacterial activity against pathogenic bacteria (Kumar et al, 2013). It has been reported that some copper(II) carboxylate complexes involving nitrogen donor ligands exhibit carbonic anhydrase inhibitory activity (Dilek et al, 2017). Ethylenediamine has good coordination and chelating ability, forming five-membered ring compounds with metal centers. We report the synthesis, single crystal structure determination and Hirshfeld surface analysis of a copper(II) complex containing ethylenediamine and 2-nitrobenzoate

Structural commentary
Hirshfeld surface analysis
Database survey
Synthesis and crystallization
Findings
Refinement

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