Abstract
The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII 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.
Highlights
The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2ÁC12H12N2O6Á8H2O, is composed of a CuII 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,N0-(1,4-phenylenedicarbonyl)diglycinate anion
The asymmetric unit is completed by one-half of the N,N0(1,4-phenylenedicarbonyl)diglycine solvent molecule, which is located on a centre of inversion, by one nitrate counter-anion and four water molecules
The crystal structure is stabilized by further C— HÁ Á ÁO contacts as well as by O—HÁ Á ÁO and N—HÁ Á ÁO hydrogen bonds between water molecules, the nitrate anions, the N,N0-(1,4-phenylenedicarbonyl)diglycinate ligands, N,N0-(1,4-phenylenedicarbonyl)diglycine solvent molecules and phenanthroline ligands, giving rise to a supramolecular framework
Summary
Over the past two decades, the syntheses and structural investigations of coordination polymers with different dimensions as well as metal–organic frameworks (MOFs) have attracted much attention because of their intriguing functional architectures and applications (Batten et al, 2013; Leong & Vittal, 2011; Yamada et al, 2013) Potential applications of these materials are in catalysis, gas storage (Kitagawa et al, 2004), luminescence (Allendorf et al, 2015) or as scintillators (Allendorf et al, 2009; Doty et al, 2009; Perry et al, 2012). We have previously reported structural studies of two cobalt complexes with bidentate bipyridine or bidentate phenanthroline ligands and a non-coordinating N,N0-(1,4phenylenedicarbonyl)diglycine molecule in the crystal (Pook et al, 2014, 2015). 2. Structural commentary The binuclear and centrosymmetric complex cation of the title compound, [Cu2(C12H8N2)4(C12H10N2O6)](NO3)2Á(C12H12N2O6)Á8H2O, comprises two bidentate phenanthroline ligands and one bridging monodentate N,N0-(1,4-phenylenedicarbonyl)diglycinate ligand for each CuII atom, defining a distorted trigonal–bipyramidal coordination sphere. The dihedral angle between the mean planes of the two bidentate phenanthroline ligands is 61.71 (5); the corresponding value between phenanthroline (N1/C1–C12/N2) and the coordinating carboxylate group (O1/C30/O2) is 79.9 (4) and between phenanthroline (N3/C13–C24/N4) and the carboxylate group is 82.5 (3), respectively
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