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, 1 H and 13 C 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 P2 1 /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.

Synthesis and Characterization of Novel Thiourea Derivatives and Their Nickel and Copper Complexes

“…In all ligands, the fluorobenzoyl ring and one of the methyl, ethyl, and n-butyl groups are trans to S1, but the other methyl, ethyl, and n-butyl groups are cis with respect to N2-C8 thiourea bond. Bond distances and bond angles of the thiourea group agree well with those expected from other thiourea derivatives [22,[28][29][30][32][33][34]. The C7-O1 and C8-S1 bonds both show typical double-bound character with bond lengths of 1.212(2) for HL 1 , 1.225(2) for HL 2 , and 1.219(3) for HL 4 and 1.683(2) for HL 1 , 1.658(2) for HL 2 , and 1.673(3)Å for HL 4 , respectively.…”

Synthesis and antibacterial activity of some new 1-aroyl-3-(substituted-2-benzothiazolyl)thioureas

“…were synthesized using procedure reported earlier [34]. Thus, reaction of aroyl chlorides derived from acids (1a -d) with potassium thiocyanate in acetone followed by treatment with substituted-2-benzothiazolamines (2a -e) furnished the corresponding thioureas (3a -k) (scheme 1).…”

A review on the chemistry, coordination, structure and biological properties of 1-(acyl/aroyl)-3-(substituted) thioureas

“…This reaction is usually carried out in dry acetone or acetonitrile; however, other conditions have also been used including ionic liquids like 1-butyl-3-methylimidazolium tetrafluoroborate-, [18] PEG-400 [19] or solvent-free conditions. [ Scheme 2.…”