Synthesis and single crystal structure analysis of three novel benzoylthiourea derivatives

Authors : Gülten Kavak, Süheyla Özbey, Gün Binzet, Nevzat Külcü

Pages : 857-868

View : 16 | Download : 11

Publication Date : 9999-12-31

Article Type : Makaleler

Abstract :N,N-dimethyl-N' -(2-methylbenzoyl)thiourea, C11H14N2SO (HL1), N,N-dibutyl-N' -(2-methylben\-zoyl)thiourea, C{17}H{26}N2SO (HL2), and N,N-dihexyl-N' -(2-methylbenzoyl) thiourea, C{21}H{34}N2SO (HL3) were synthesized and characterized by elemental analysis, spectroscopic methods (FT-IR, NMR), and single crystal X-ray diffraction. Compound HL1 crystallizes in the monoclinic system, space group P21/c, Z = 4. Compound HL3 also crystallizes in the monoclinic system, space group P21/n, Z = 8 with 2 independent molecules in the asymmetric unit. Compound HL2 crystallizes in the orthorhombic system, space group Pcnn, Z = 8. In all compounds, molecules form dimers through the strong intermolecular N-H...S hydrogen bonds. Moreover, there are different types of intra- and inter-molecular interactions in the crystal structures, and so the molecules of the 3 compounds also pack differently.
Keywords : Thiourea derivatives, benzoylthioureas, single crystal X-ray structures.