synthesis and x-ray crystallography study of methyl-2

Synthesis And X-Ray Crystallography Study Of Methyl-2-(3Benzoylthioureido)Acetate And Ethyl-2-(3Benzoylthioureido)Acetate
Ibrahim N. Hassan, Bohari M. Yamin & Mohammad B. Kassim*
School of Chemical Sciences & Food Technology
Faculty Science & Technology, Universiti Kebangsaan Malaysia
43000 Bangi, Selangor, Malaysia
Two novel benzoylthiourea derivatives of glycine namely, methyl-2-(3- benzoylthioureido)acetate
(I) and ethyl-2-(3-benzoylthioureido)acetate (II), were successfully synthesized from 2-(3benzoylthioureido)ethanoic acid in methanol and ethanol, in the presence of LaCl3, respectively. The
compounds were characterized by CHNS elemental micro-analysis, infrared and nuclear magnetic
resonance spectroscopies. In addition, the X-ray crystallography structures of I and II were determined.
Both compounds crystallized in monoclinic crystal system with space group of P21/c. The cell parameters
for I and II are a = 14.564(5) Å, b = 4.9746(16)Å, c = 16.883(5)Å and Z = 4 and a = 11.908(4) Å, b =
7.795(3) Å, c = 14.024(5)Å and Z= 4, respectively. The molecules retains the cis-trans configuration with
respect to the position of the glycine moiety and benzoyl groups against the S atom across the C-N bonds.