Supramolecular architecture of organotin(IV) 4-hydroxypiperidine dithiocarbamates: Crystallographic, computational and Hirshfeld surface analyses

• Three organotin(IV) dithiocarabamte complexes synthesized.
• They have been characterized by integrated experimental and computational techniques.
• Complexes forms interesting supramolecular architectures.
• TGA results indicated their use as single-source precursors for SnS.

Three new organotin(IV) dithiocarbamate complexes viz. [Me2Sn(4-OHPCTDA)2] (1), [n-Bu2Sn(4-OHPCTDA)2] (2) and [Ph3Sn(4-OHPCTDA)] (3) (4-OHPCDTA = 4-hydroxypiperidine dithiocarbamate), have been synthesized and characterized by elemental analyses, IR, 1H, 13C, 119Sn NMR spectroscopy and X-ray crystallography. The X-ray analyses for 1 and 2 reveal a skew trapezoidal bipyramid geometry around Sn(IV) which is being satisfied by the two sulfur atoms of the two dithiocarbamate ligands in anisobidentate fashion. In the case of 3 the monodentate coordination by one sulfur atom of the dithiocarbamate ligand imposes distorted tetrahedral geometry around Sn(IV). All three compounds display intermolecular O–H⋯O and C–H⋯S interactions which generate a supramolecular framework. 2 also exhibits intermolecular S⋯S interactions to generate a one dimensional supramolecular architecture. These interactions have been addressed by ab initio, AIM and Hirshfeld surface analyses. Additionally, thermogravimetric analyses of all the three compounds indicates their use as single source precursors for tin sulfide.

Three new organotin(IV) dithiocarbamates synthesized and the nature of weak interactions have been addressed using computation and Hirshfeld surface analyses.Figure optionsDownload as PowerPoint slide