Crystal structure and Hirshfeld surface analysis of (?-2-{4-[(carboxyl-atometh-yl)carbamo-yl]benz-amido}-acetato-?2 O:O')bis-[bis-(1,10-phenanthroline-?2 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 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 ?-? stacking and through lone-pair?? 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 ?-? 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.

SUBMITTER: Pook NP 

PROVIDER: S-EPMC6505584 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature