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

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 4,4'-di- tert-butyl- 2,2'-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 ( 1 H, 13 C, 119 Sn) 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 degrees C while the complex [SnBu 2 (NCS) 2 (bu 2 bpy)] ( 2 ) is stable up to 190 degrees C.