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- W2496634873 abstract "ABSTRACTThe thiourea derivative 1-(2-Furoyl)-3-phenylthiourea (FPT) was synthesized and characterized by using spectroscopic (IR, Raman, UV–VIS, 1H and 13C NMR) and structural methods (powder X-ray diffraction data). The experimental measurements were complemented with quantum chemical calculations. FPT crystallizes in the monoclinic crystal system, space group P21/c, with cell parameters a = 4.7679(5) A, b = 20.9704(2) A, c = 12.5109(5) A and β = 109.811(10)°, V = 1176.87(3) A3. In the crystal structure, the thiourea group makes dihedral angle of 43.8(5)° with the furoyl group, whereas the benzene ring is inclined by 24.3(4)°. The anti-syn geometry of the thiourea unit is stabilized by intramolecular N–H … O hydrogen bond between the H atom of the syn thioamide and the carbonyl O atom. In the crystal structure, molecules of FPT are packed through N–H···S, C–H···O and C–H···C hydrogen bonds, and a π–π interaction with offset arrangement. Hirshfeld surface analysis was performed in order to evaluate and qu..." @default.
- W2496634873 created "2016-08-23" @default.
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- W2496634873 date "2016-07-28" @default.
- W2496634873 modified "2023-10-06" @default.
- W2496634873 title "Synthesis, structural and spectroscopic studies of 1-(2-FUROYL)-3-phenylthiourea: a theoretical and experimental approach" @default.
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- W2496634873 doi "https://doi.org/10.1080/17415993.2016.1209755" @default.
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