Crystal structure of bis(mu-3-nitrobenzoato)-kappa O-3,O ':O;kappa O-3:O,O '-bis[bis(3-cyanopyridine-kappa N-1)(3-nitrobenzoato-kappa O-2,O ')cadmium]

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HÖKELEK T., AKDURAN N., Ozen A., Ugurlu G., Necefoglu H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.73, pp.413-424, 2017 (ESCI) identifier identifier identifier


The asymmetric unit of the title compound, [Cd-2(C7H4NO4)(4)(C6H4N2)(4)], contains one Cd-II atom, two 3-nitrobenzoate (NB) anions and two 3-cyanopyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB anions act as bidentate ligands through the carboxylate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the Cd-II atoms are bridged by the carboxylate O atoms of two symmetry-related NB anions, thus completing the distorted N2O5 pentagonal-bipyramidal coordination sphere of each Cd-II atom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7) and 5.76 (9)degrees, respectively. In the crystal, C-H center dot center dot center dot N hydrogen bonds link the molecules, enclosing R-2(2) (26) ring motifs, in which they are further linked via C-H center dot center dot center dot O hydrogen bonds, resulting in a three-dimensional network. In addition, pi-pi stacking interactions between parallel benzene rings and between parallel pyridine rings of adjacent molecules [shortest centroid-to-centroid distances = 3.885 (1) and 3.712 (1) angstrom, respectively], as well as a weak C-H center dot center dot center dot pi interaction, may further stabilize the crystal structure.