A sulfur-containing Cd(II) coordination polymer assembled from 4-(4-pyridinyl)thiazole-2-thiol: synthesis, crystal structure, properties, and Hirshfeld surface analysis

The 4-(4-pyridinyl)thiazole-2-thiol (HPTT) molecule with biological activities is a sulfur-containing organic ligand. Here, one new sulfur-containing coordination polymer based on HPTT and potassium thiocyanate (KSCN), namely, {[Cd(PTT)(HPTT)(SCN)}(n), has been synthesized and characterized by physicochemical methods. The single-crystal X-ray diffraction analyses reveal the compound crystallizes in a monoclinic P21/n space group and features a one-dimensional line structure. The crystal structure is stabilized through intramolecular C-H<middle dot><middle dot><middle dot>N and C-H<middle dot><middle dot><middle dot>S hydrogen bonds and intermolecular N-H<middle dot><middle dot><middle dot>N, C-H<middle dot><middle dot><middle dot>pi, and pi & ctdot;pi interactions, generating a two-dimensional supramolecular layer structure. The interactions are also analyzed using Hirshfeld surface analysis. Moreover, the compound shows a relatively thermal stability and solid-state photoluminescence at room temperature. One new sulfur-containing coordination polymer based on 4-(4-pyridinyl)thiazole-2-thiol and potassium thiocyanate has been synthesized and characterized. The single-crystal X-ray diffraction analyses reveal the compound crystallizes in a monoclinic P21/n space group and features a one-dimensional line structure. The crystal structure is stabilized by hydrogen bonds and pi & sdot;& sdot;& sdot;pi stacking interactions, generating a two-dimensional supramolecular layer structure. The interactions are also analyzed using Hirshfeld surface analysis. {GRAPHICAL ABSTRACT}