Nuclear quadrupole resonance of several copper(I) complexes with heterocyclic thioamido ligands. Crystal structure of chlorobis[tetrahydro-1H-pyrimidine-2-thione]copper(I)

Abstract

The ⁶³Cu and ⁶⁵Cu n.q.r. spectra of the copper(I)–chloride and –bromide complexes of imidazolidine-2-thione (izt) and tetrahydro-1H-pyrimidine-2-thione (tpt), and the crystal structure of the complex [Cu(tpt)₂Cl] are reported. The n.q.r. data indicate that there is no phase change in the 77–300 K temperature interval. The compound [Cu(tpt)₂Cl] crystallizes in space group P4₁2₁2 with a=b= 7.803(2), c= 22.093(7)Å, and Z= 4. The structure has been solved by standard methods with a final R of 0.047. The complex is mononuclear and contains only one kind of Cu^I atom which is trigonally co-ordinated by two tpt molecules (Cu–S 2.206 Å) and one chlorine atom (Cu–Cl 2.317 Å). The conformation of the complex molecule is influenced by two intramolecular N–H ⋯ Cl hydrogen bonds.