Information card for entry 2236203

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide
• Formula: C11 H11 F N4 O S
• Calculated formula: C11 H11 F N4 O S
• SMILES: S=C(N/N=C1/c2c(NC1=O)ccc(F)c2)NCC
• Title of publication: (<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
• Authors of publication: Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2868 - o2869
• a: 4.5151 ± 0.0001 Å
• b: 11.6102 ± 0.0003 Å
• c: 22.3255 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.33 ± 0.05 ų
• Cell temperature: 100 ± 1 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: 0.0899
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes