X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker

The two dinuclear Cd(II) complexes [Cd(BPMST)(SCN)]2 (1) and [Cd(BPMST)(N3)Cl]2 (2) of a s-triazine/pyrazolo ligand (BPMST) were synthesized. preparation both was performed in water–ethanol solvent mixture involved the mixing functional BPMST with CdCl2 presence thiocyanate or azide as linkers, respectively. formula involvement pesudohalide linker between centers approved by single crystal X-ray structures. hexa-coordinated CdN5S CdN5Cl coordination environments had distorted octahedral geometry. In [Cd(BPMST)(N3)Cl]2, acted pincer tridentate N-chelate. case 1, SCN¯ μ(1,3) bridging centers, while N3¯ μ(1,1) mode 2. As result, Cd…Cd distance significantly longer 1 (5.8033(5) Å) than 2 (3.796(2) Å). complexes, Hirshfeld surface analysis to inspect supramolecular aspects complexes. C…H, N…H S…H contacts important (1). Their percentages calculated be 14.7, 17.0 13.4%, (2), most significant Cl…H, C…H contacts. contributions molecular packing 16.5, 9.7 25.3%, propensity atom pairs elements form structure analyzed using enrichment ratio (EXY).