Information card for entry 2221662

Structure parameters

• Chemical name: 1-Furoyl-3-[3-(trifluoromethyl)phenyl]thiourea
• Formula: C13 H9 F3 N2 O2 S
• Calculated formula: C13 H9 F3 N2 O2 S
• Title of publication: 1-Furoyl-3-[3-(trifluoromethyl)phenyl]thiourea
• Authors of publication: Theodoro, Jahyr E.; Estévez-Hernández, O.; Ellena, J.; Duque, J.; Corrêa, Rodrigo S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1012
• a: 7.554 ± 0.0014 Å
• b: 13.684 ± 0.005 Å
• c: 14.21 ± 0.003 Å
• α: 86.124 ± 0.013°
• β: 74.779 ± 0.007°
• γ: 74.065 ± 0.008°
• Cell volume: 1362.9 ± 0.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes