Information card for entry 2240685

Structure parameters

• Common name: 5-Fluoroisatin-thiosemicarbazone
• Chemical name: (<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
• Formula: C9 H7 F N4 O S
• Calculated formula: C9 H7 F N4 O S
• SMILES: c12cc(ccc1NC(=O)C\2=N/NC(=S)N)F
• Title of publication: Crystal structure of (<i>Z</i>)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
• Authors of publication: Bittencourt, Viviane C. D.; Almeida, Vitor Y. G.; Back, Davi F.; Gervini, Vanessa C.; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o383 - o384
• a: 4.7151 ± 0.0001 Å
• b: 15.4517 ± 0.0004 Å
• c: 13.9645 ± 0.0004 Å
• α: 90°
• β: 93.921 ± 0.002°
• γ: 90°
• Cell volume: 1015.02 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes