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

Abstract

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) Å, b = 17.150(3) Å, c = 18.677(3) Å, gamma = 96.487(4) °, and V = 1531.4(5) Å3 .