Intramolecular hydrogen bond controlled coordination of N-thiophosphorylated thiourea 2,6-Me2C6H3NHC(S)NHP(S)(OiPr)2 with Ni(II)

Reaction of O,O′-diisopropylthiophosphoric acid isothiocyanate (iPrO)₂P(S)NCS with 2,6-dimethylaniline 2,6-Me₂C₆H₃NH₂ leads to the new N-thiophosphorylated thiourea 2,6-Me₂C₆H₃NHC(S)NHP(S)(OiPr)₂ (HL). Reaction of the potassium salt of HL with Ni(II) in aqueous EtOH leads to the complex of formula [Ni(L-N,S)₂]. The molecular structures of the thiourea HL and the complex [Ni(L-N,S)₂] were elucidated by single crystal X-ray diffraction analysis, ¹H and ³¹P NMR spectroscopy and microanalysis. In the complex [Ni(L-N,S)₂], the metal center is found to be in a square-planar N₂S₂ environment formed by the CS sulfur atoms and the P–N nitrogen atoms of two deprotonated L ligands. The ligands are in a trans-configuration.