Synthesis, Crystal Structure, Theoretical Calculation, Specific Heat Capacity, and Thermodynamic Properties of 4,4′-Bis(3-N-methoxyformyl thioureido)-diphenyloxide

摘要

4,4′-Bis(3-N-methoxyformyl thioureido)-diphenyloxide was prepared via reaction of 4,4′-diaminodiphenyl alter with potassium sulfocyanate and ethyl chloroacetate in ethyl acetate. The single crystal of the title compound was cultured by slow evaporation method at room temperature. The crystal structure was determined with X-ray diffractometer. It is a monoclinic crystal, space group C2/c with a=0.95911(19) nm, b=0.75922(15) nm, c=2.7161(5) nm, =90°, β=97.675 (3) °, =90°, V=1.9601(7) nm3, Z=4, D_c=1.472 g·cm−3, F(000) =904, µ=0.311 cm−1, R₁=0.0367, wR₂=0.1408. The specific heat capacity of the title compound was determined with continuous C_p mode of mircocalorimeter. The thermal behavior of the title compound was studied under a non-isothermal condition by DSC method.