Abstract
A new dinuclear Cd(II)-azido complex of 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (PMT) pincer ligand is synthesized. Its single crystal X-ray structure reveals the dinuclear [Cd(PMT)(Cl)(N-3)](2) formula. The triclinic crystal parameters are a = 9.323(4) angstrom, b = 10.936(5) angstrom, c = 11.312(6) angstrom, alpha = 112.637(10)degrees, beta = 104.547(11)degrees and gamma = 105.133(10)degrees while V = 944.1(8) angstrom(3). Due to symmetry considerations, the asymmetric unit comprises a half [Cd(PMT)(Cl)(N-3)](2) formula. The Cd(II) is hexa-coordinated with one tridentate PMT ligand in a pincer fashion mode in addition to one terminal chloride and two azide ions bridging the two Cd(II) centers in double mu(1,1) bridging mode. Unusually, the Cd-N(s-triazine) bond is not the shortest among the Cd-N interactions with the PMT pincer ligand. The supramolecular structure of the dinuclear [Cd(PMT)(Cl)(N-3)](2) formula is controlled by a significant amount of Cl horizontal ellipsis H (16.4%), N horizontal ellipsis H (25.3%), H horizontal ellipsis C (9.8%) and H horizontal ellipsis H (37.2%) interactions based on Hirshfeld surface analysis. Careful inspection of the shape index map reveals the presence of some weak pi-pi stacking interactions between the s-triazine and pyrazolyl moieties. The percentage of C horizontal ellipsis C contacts is 1.9% where the C2 horizontal ellipsis C8 (3.462 angstrom) is the shortest while the centroid-centroid distance is 3.686 angstrom. Natural charge analysis describes the charge transferences from the ligand groups to the Cd(II), while and atoms in molecules (AIM) give an indication on the properties of the Cd-N and Cd-Cl bonds.