Information card for entry 2226666

Structure parameters

• Chemical name: 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4- (trifluoromethyl)phenyl]thiosemicarbazide
• Formula: C17 H10 F6 N4 O2 S
• Calculated formula: C17 H10 F5.997 N4 O2 S
• Title of publication: 1-[2-Oxo-5-(trifluoromethoxy)indolin-3-ylidene]-4-[4-(trifluoromethyl)phenyl]thiosemicarbazide
• Authors of publication: Pervez, Humayun; Iqbal, Mohammad S.; Saira, Naveeda; Yaqub, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1749
• a: 7.5452 ± 0.0011 Å
• b: 8.3177 ± 0.0013 Å
• c: 16.048 ± 0.002 Å
• α: 104.452 ± 0.006°
• β: 94.752 ± 0.007°
• γ: 103.606 ± 0.007°
• Cell volume: 937.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes