Resumen de 1-(2-furoyl)-3,3-(dipheny)thiourea: spectroscopic characterization and structural study from x-ray powder diffraction using simulated annealing
O. Estévez Hernández, J. Rodríguez-Hernández, H. Yee - Madeira, J. Duque
1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and chaacterized by DTIR. H^(1) and C^(13) NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P2_(3) with a = 12.691(1), b = 6.026(2), c = 11.861(1) Å, "Beta" = 117.95(2) and V = 801.5(3) Å^3. The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimizatin strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6)º. With rhw duroyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis.
