A novel benzoylthiourea derivative with a triazinethione moiety: Synthesis and coordination with the organometallic fac-[Re(CO)3]+ core

Benzoylthiourea derivatives containing heterocyclic moiety strongly coordinate and stabilize the organometallic fac-[Re(CO)3]+ core forming both monomer multimer organorhenium(I) complexes. The reaction of isophthaloyl dichloride with potassium thiocyanate in acetone followed by addition diphenylamine led to a novel benzoylthiourea derivative triazinethione ligand, typically 3-(4-(diphenylamino)-6-thioxo-1,6-dihydro-1,3,5-triazin-2-yl)N(diphenylcarbamothioyl)benzamide (H2L). purity retention time ligand H2L were assessed ultraperfomance liquid chromatography (UPLC) analyzed 1H NMR, 13C infra-red (IR) mass spectrometry (ESI-MS). coordination mode was investigated reacting [Re(CO)5Br] toluene. dimeric complex [(?-H2L)2(Re(CO)3Br)2] which coordinates each units as neutral monodentate S-donor chelate. dimer (IR), high resolution (HR-ESI-MS) single crystal X-Ray crystallography.