Synthesis, structural characterization, Hirshfeld surface analysis and thermal properties of dibutyltin(IV)-based complexes containing thiocyanate and pyridyl ligands.

• New complexes of dibutyltin(IV) based on the isothiocyanate ligand. • Supramolecular assembly of tin compound through noncovalent interactions. • Comparative solution and solid structural characterization. • Hirshfeld surface analysis was used to analyze the intermolecular interactions. • Thermal properties of the complexes were investigated. Dibutyltin(IV) complex [SnBu 2 (NCS) 2 ] (1) has been prepared from the reaction of SnBu 2 Cl 2 and potassium thiocyanate in a molar ratio of Sn:KNCS/1:2 in ethanol. The reaction of [SnBu 2 (NCS) 2 ] (1) with 4,4ꞌ-di- tert -butyl-2,2ꞌ-bipyridine (bu 2 bpy) in a molar ratio of Sn:bu 2 bpy/1:1 resulted in the formation of [SnBu 2 (NCS) 2 (bu 2 bpy)] (2). The products were characterized using elemental analysis, IR, and multinuclear NMR (1H, 13C, 119Sn) spectroscopy. The X-ray crystal structure determination of the complex [SnBu 2 (NCS) 2 (bu 2 bpy)] (2) revealed that the geometry around the Sn(IV) atom is highly distorted octahedral with trans -[SnBu 2 ] configuration. On the other hand, the new single crystals of bu 2 bpy (3) were characterized by X-ray crystallography from the crystallization of 2 in diethyl ether. The various types of weak interactions in their networks have been assessed using the 3D Hirshfeld surface analysis and 2D fingerprint maps for 2 , and 3 which show the major contribution of intermolecular interactions is related to H...H interactions. The thermal properties analysis showed that the complex [SnBu 2 (NCS) 2 ] (1) is stable up to 153 °C while the complex [SnBu 2 (NCS) 2 (bu 2 bpy)] (2) is stable up to 190 °C. [Display omitted] [ABSTRACT FROM AUTHOR]