Synthesis, characterization and crystal structure of 1-(4-methylbenzoyl)-3-(4 aminosulfonylphenyl)thiourea

An efficient synthesis of the title compound, 1-(4-methylbenzoyl)-3-(4-aminosulfonyl phenyl)thiourea, was carried out by reaction of 4-methylbenzoyl chloride with potassium thiocyanate in acetone to afford 4-methylbenzoyl isothiocyanate in situ followed by treatment with sulfanilamide. The structure was confirmed by spectroscopic data and elemental analyses. The molecular structure was determined from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with unit cell dimensions of a = 4.8116(9) , b = 17.150(3) , c = 18.677(3) , γ = 96.487(4) °, and V = 1531.4(5) 3.