1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from x-ray powder diffraction using simulated annealing
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| Natura: | Artículo científico |
| Lingua: | en |
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Sociedad Mexicana de Física A.C.
2015
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| _version_ | 1876441152569212928 |
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| author | O. Estévez-Hernández |
| author_facet | O. Estévez-Hernández |
| contents | 1-(2-furoyl)-3,3-(diphenyl)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 Física, Astronomía y Matemáticas FTIR FTIR Furoylthioureas Furoylthioureas crystal structure 1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and characterized by FTIR, 1H and 13C NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P21 with a = 12.691(1), b = 6.026(2), c = 11.861(1) A, ˚ β = 117.95(2) and V = 801.5(3) A˚ 3 . The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6)◦ with the furoyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis. 2015 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57036861007 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.1 Vol.61 |
| format | Artículo científico |
| id | redalyc_57036861007 |
| institution | Redalyc |
| language | en |
| publishDate | 2015 |
| publisher | Sociedad Mexicana de Física A.C. |
| spellingShingle | 1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from x-ray powder diffraction using simulated annealing O. Estévez-Hernández Física, Astronomía y Matemáticas FTIR FTIR Furoylthioureas Furoylthioureas crystal structure 1-(2-furoyl)-3,3-(diphenyl)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 Física, Astronomía y Matemáticas FTIR FTIR Furoylthioureas Furoylthioureas crystal structure 1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and characterized by FTIR, 1H and 13C NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P21 with a = 12.691(1), b = 6.026(2), c = 11.861(1) A, ˚ β = 117.95(2) and V = 801.5(3) A˚ 3 . The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6)◦ with the furoyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis. 2015 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57036861007 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.1 Vol.61 |
| title | 1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from x-ray powder diffraction using simulated annealing |
| topic | Física, Astronomía y Matemáticas FTIR FTIR Furoylthioureas Furoylthioureas crystal structure |
| url | https://www.redalyc.org/articulo.oa?id=57036861007 |