Synthesis, crystal structure, spectroscopic, and Hirshfeld surface study of a new functionalized a-hydroxyphosphonate complex of tin(IV) chloride

A new octahedral [SnCl4L.H2O] complex (L =gamma-keto allyl phosphonate) (1) was prepared and characterized by multinuclear (H-1, C-13, P-31, and Sn-119) NMR spectroscopy, IR spectroscopy, and singlecrystal X-ray diffraction. The NMR data show that, in solution, the complex exclusively exists in trans isomeric form. The solution structure was confirmed by Sn-119 NMR spectrum, showing a single triplet corresponding to the trans isomer. The effect of distant substituent on the metal-ligand interaction was investigated and compared to closely related tin-phosphoryl complexes. The crystal structure is stabilized by strong O-H...Cl hydrogen bonds forming layers of dimers with absence of p-p interactions. The Hirshfeld surface analysis confirms the interactions involving hydrogen atoms in the complex by the higher percentage of Pi-Pi (41.1%) and Cl...H/H...Cl (40%) interactions.