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A new 3,3 0 -dibenzoyl-1,1 0 -propan-1,3-diyl)bisthiourea was synthesized by using benzoylisothiocyanate with 1,3-diaminopropane in aprotic solvent. The structure was determinated by means of FT-IR, 1 H-NMR, 13 C-NMR and mass spectroscopic techniques. The crystal structure of 3,3 0 -dibenzoyl-1,1 0 -(propan-1,3-diyl)bisthiourea has also been examined by using X-ray crystallographic techniques and found to be crystallized in the monoclinic space group P2 1 /c with the unit cell parameters: a = 5.968(1) Å , b = 19.471(2) Å , c = 16.585(2) Å , b = 98.32(1)°, V = 1907.0 (4) Å 3 , Dx = 1.395 g cm -3 , and Z = 4 respectively.

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New aroyl thioureas; N-nicotinoyl-N'-(4-nitrophenyl) thiourea (3a) and N-nicotinoyl-N'-(2-nitrophenyl) thiourea (3b) were synthesized and studied as anion-binding receptors. Upon adding tetrabutyl ammonium halides (fluoride, chloride bromide and iodide), cyanide and hydroxide ions to their solutions in DMSO respectively, the colour of the solutions has shown striking changes from pale yellow to brillant yellow or red. The binding effects of the anions were investigated by UV-VIS spectroscopic method and 1 H NMR titrations.

Herein, two title compounds, N-benzoyl-N′-(4′-cyanophenyl)thiourea (1) and N-(4-nitrobenzoyl)-N′-(4′-cyanophenyl)thiourea (2) were synthesized in a high yield, via different applications of aroyl isocyanate and 4-aminobenzonitrile. The structure of the prepared compounds was characterized by elemental analysis and FT-IR, 1H, and 13C-NMR spectroscopic methods. The crystal structure of the title compound 1 was determined by an X-ray single-crystal technique and an intramolecular C=O…H-N hydrogen bond and intermolecular C=S…H-N and C=S…H-C hydrogen interactions, which were observed for the crystal structure. The molecular electrostatic potential (MEP) and the Mulliken atomic charges of title compounds 1 and 2 were theoretically calculated and interpreted. Cyclic voltammetric (CV) experiments for the compounds were performed with the glassy carbon electrode. The reduction in potential values of the different functional groups such as nitro and cyano in title compounds were investigated using CV curves.