Crystal structure of N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea

Abstract

The reaction of 3-chloropropionyl chloride with ammonium thiocyanate and 4-fluoroaniline in acetone gave N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea. The compound crystallized in the triclinic system with space group P1, a = 5.4651(12)Å, b = 9.033(2)Å, c = 11.894(3)Å, α = 99.814(3)°, β = 93.225(3)°, γ = 94.621(4), volume = 575.2(2)Å3 and Z = 2. The molecule is not planar, and possesses a trans-cis configuration with respect to the position of the propionyl and 4-fluorophenyl groups relative to the thiono sulphur atom across their C-N bonds, respectively. The molecule is stabilized by N-H···O and N-H···S hydrogen bonds and a C-H···π interaction. 2009 Show more