Crystal structure of a novel cadmium sulfate coordination polymer based on the multidentate 2-(3-(4-(pyridin-4-yl)phenyl)-1H-1,2,4-triazol-5-yl) pyridine ligand

Abstract

A novel metal-organic coordination polymer, namely [Cd2(Hpptpd)2(SO4)2(H2O)] n (I) (Hpptpd = 2-(3-(4-(pyridin-4-yl)phenyl)-1H-1,2,4-triazol-5-yl)pyridine), is hydrothermally synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. The X-ray diffraction analysis reveals that I crystallizes in the triclinic system, space group P-1 with a = 8.593(6) A, b = 9.832(6) A, c = 11.845(7) A, α = 68.172(10)°, β = 88.002(12)°, γ = 84.916(11)°, V = 925.3(10) A3, Z = 2. In I, the Cd(II) atom is heptacoordinated and displays a CdN3O4 pentagonal bipyramidal geometry. A pair of head-to-tail arranged Hpptpd ligands with a chelating + bridging mode binds two Cd(II) ions to form a centrosymmetric [Cd2(Hpptpd)2] subunit which is bridged by two centrosymmetric sulfate anions to form a zigzag chain. The interchain Owater-H⋯Osulfate hydrogen bond extend the one-dimensional (1D) chain into a two-dimensional (2D) supramolecular sheet incorporating centrosymmetric twelve-membered R 4 4 (12) hydrogen-bonding rings. The adjacent sheets further interdigitate with each other to form the resultant three-dimensional (3D) supramolecular framework by NHpptpd-H⋯Osulfate hydrogen bonds and π⋯π stacking interactions.