Synthesis and single crystal structure analysis of three novel benzoylthiourea derivatives

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Kavak G., Ozbey S., Binzet G., Kulcu N.

TURKISH JOURNAL OF CHEMISTRY, vol.33, no.6, pp.857-868, 2009 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 33 Issue: 6
  • Publication Date: 2009
  • Doi Number: 10.3906/kim-0901-1
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.857-868
  • Hacettepe University Affiliated: Yes


N,N-dimethyl-N'-(2-methylbenzoyl)thiourea, C11H14N2SO (HL1), N,N-dibutyl-N'-(2-methylbenzoyl) thiourea, C17H26N2SO (HL2), and N,N-dihexyl-N'-(2-methylbenzoyl) thiourea, C21H34N2SO (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 P2(1)/c, Z = 4. Compound HL3 also crystallizes in the monoclinic system, space group P2(1)/n, Z = 8 with 2 independent molecules in the asymmetric unit. Compound HL2 crystallizes in the orthorhombic system, space group Penn, Z = 8. In all compounds, molecules form dimers through the strong intermolecular N-H center dot center dot center dot 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.