Information card for entry 2233847

Structure parameters

• Chemical name: (<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3- ylidene)thiosemicarbazide
• Formula: C15 H10 F N5 O3 S
• Calculated formula: C15 H10 F N5 O3 S
• SMILES: S=C(Nc1cc(F)ccc1)N/N=C1\C(=O)Nc2c1cc(N(=O)=O)cc2
• Title of publication: (<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide
• Authors of publication: Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o670
• a: 18.2485 ± 0.0005 Å
• b: 8.8043 ± 0.0002 Å
• c: 18.6913 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3003.04 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes