Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxyl-atometh-yl)carbamo-yl]benz-amido}-acetato-κ2 O: O')bis-[bis-(1,10-phenanthroline-κ2 N, N')copper(II)] dinitrate N, N'-(1,4-phenyl-enedicarbon-yl)diglycine monosolvate octa-hydrate

Abstract

The centrosymmetric binuclear complex cation of the title compound, [Cu₂(C₁₂H₁₀N₂O₆)(C₁₂H₈N₂)₄](NO₃)₂·C₁₂H₁₂N₂O₆·8H₂O, is composed of a Cu^II atom with a distorted trigonal-bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)diglycine solvent mol-ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol-ecules. In the crystal, the cationic complexes are linked via inter-molecular π-π stacking and through lone-pair⋯π inter-actions involving the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion and the phenanthroline ligands. The N,N'-(1,4-phenyl-enedicarbon-yl)diglycine solvent mol-ecule is involved in classical and non-classical hydrogen-bonding inter-actions, as well as π-π stacking inter-actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) Å. The crystal structure is stabilized by further C-H⋯O contacts as well as by O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the nitrate anions, the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate ligands, N,N'-(1,4-phenyl-enedicarbon-yl)diglycine solvent mol-ecules and phenanthroline ligands, giving rise to a supra-molecular framework. A Hirshfeld surface analysis was carried out to qu-antify these inter-actions.

Keywords: Hirshfeld surface analysis.; N,N′-(1,4-phenyl­enedicarbon­yl)diglycine; copper(II) complex; crystal structure; phenanthroline ligand; supra­molecular inter­actions.