One step substitution of NO and Cl by a metal-S-C-N-ring in CpCr(NO)2Cl: synthesis and molecular structure of CpCr(NO)‘DMPYS’ (Cp=π-C5H5; DMPYS=4,6-dimethyl-pyrimidine-2-thiolato)

CpCr(NO)2Cl reacts in THF under reflux with the Na salt of 4,6-dimethyl-pyrimidin-2-thiol to give CpCr(NO)(DMPYS)·1/4 toluene (Cp=π-C5H5; DMPYS=4,6-dimethylpyrimidine-2-thiolato) and NaCl. The ligand substitution in CpCr(NO)2Cl probably occurs over displacement of NO followed by Cl− elimination. CpCr(NO)‘DMPYS’ crystallizes in the triclinic space group P, formally with 25% of a toluene solvate molecule for each CpCr(NO)(DMPYS)-unity. In the new complex, the chromium atom shows a ‘tetrahedral’ coordination geometry derived from the octahedral structural principle, with a four members ring formed by the metal atom and the fragment SCN of the ligand.