Crystal Structures of N,N′-(m-Tolyl)thiourea and N′-(p-Tolyl)thiourea

Abstract

C₁₅H₁₆N₂S is monoclinic [orthorhombic], P2₁/c [Pbcn]. Unit-cell dimensions at 293 K are a = 9.506(1), b = 7.629(1), c = 20.077(1)Å, β = 99.93(1)°, V = 1434.2(2)ų, Dx = 1.187 g/cm³, and Z = 4 [a = 11.806(2), b = 13.954(2), c = 8.466(1)Å, V = 1394.7(3)ų, Dx = 1.221 g/cm³, and Z = 8]. The R value is 0.049 [0.045] for 1620 [1229] observed reflections. The dihedral angle between the tolyl rings is 53.6(1)° [47.9(1)°]. The crystal structures are stabilized by N-H···S hydrogen bonds and van der Waals forces.