Information card for entry 2225766

Structure parameters

• Chemical name: 4-(5-Chloro-2-methylphenyl)-1-[2-oxo-5-(trifluoromethoxy)indolin-3- ylidene]thiosemicarbazide
• Formula: C17 H12 Cl F3 N4 O2 S
• Calculated formula: C17 H12 Cl F3 N4 O2 S
• SMILES: S=C(Nc1cc(Cl)ccc1C)N/N=C1\C(=O)Nc2c1cc(cc2)OC(F)(F)F
• Title of publication: 4-(5-Chloro-2-methylphenyl)-1-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]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: 5
• Pages of publication: o1169 - o1170
• a: 10.5808 ± 0.0005 Å
• b: 11.0262 ± 0.0005 Å
• c: 17.1743 ± 0.0007 Å
• α: 102.855 ± 0.003°
• β: 94.766 ± 0.003°
• γ: 107.814 ± 0.002°
• Cell volume: 1834.96 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes