Information card for entry 1543230

Structure parameters

• Chemical name: (<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide
• Formula: C10 H9 F N4 O S
• Calculated formula: C10 H9 F N4 O S
• SMILES: S=C(N/N=C\1c2cc(F)ccc2NC1=O)NC
• Title of publication: (<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160659
• a: 5.7058 ± 0.0001 Å
• b: 10.6201 ± 0.0002 Å
• c: 18.8688 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1143.38 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes