Information card for entry 2225852

Structure parameters

• Chemical name: 4-(2-Fluorophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Formula: C15 H11 F N4 O S
• Calculated formula: C15 H11 F N4 O S
• SMILES: S=C(N/N=C1\C(=O)Nc2ccccc12)Nc1c(F)cccc1
• Title of publication: 4-(2-Fluorophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
• Authors of publication: Pervez, Humayun; Yaqub, Muhammad; Ramzan, Muhammad; Iqbal, Mohammad S.; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1018
• a: 5.7646 ± 0.0003 Å
• b: 18.4939 ± 0.0012 Å
• c: 13.6772 ± 0.0008 Å
• α: 90°
• β: 91.212 ± 0.003°
• γ: 90°
• Cell volume: 1457.8 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes