Abstract: N-(Ethoxycarbonyl acyl)-N′-(2,4-dinitrophenyl amino) thiourea was synthesized using 2,4-dinitrophenylhydrazine, potassium thiocyanate and ethyl chloroformate as precursors in ethyl acetate in the presence of Macrogol-400 catalyst. The structure was characterized by elemental analysis and FI-IR. Single crystal of the title compound was obtained by slowly evaporating solvents at the room temperature. The crystal structure was determined with single crystal X-ray diffractometer. Crystal data are: monoclinic, P2(1)/c space group, a=4.1919(2) nm, b=12.295(6) nm, c=23.828(11) nm, α=γ=90.00°, β=92.467(10)°, V=1439.7(12), Dc=1.519 g/cm3, μ=0.263 cm-1, F(000)=680, Z=4, R1=0.1121, wR2=0.2540. The thermal behavior of the title compound was studied under a non-isothermal condition by DSC method. The specific heat capacity of the title compound was determined with continuous Cp mode of mircocalorimeter. The structure analysis and thermodynamic properties proved that the title compound has good stability, which is good for transportation and storage.

Key words: synthesis, X-ray diffraction, crystal structure, Specific Heat Capacity, thermodynamic properties