The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl) thiourea

Abstract

1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR, 1H and 13C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 12.038(3), b = 6.330(6), c = 18.912(5) Å and β = 100.32(3)°. There is a strong intramolecular hydrogen bond of the type N-H... O, with distance N1... O1 = 2.659(3) Å. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N-H... S with N... S separation of 3.440(2) Å. The mass fragmentation pattern has also been discussed. © Central European Science Journals. All rights reserved.