Information card for entry 2217542

Structure parameters

• Chemical name: (Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C10 H6 F N O2 S
• Calculated formula: C10 H6 F N O2 S
• SMILES: S1\C(=C/c2ccc(F)cc2)C(=O)NC1=O
• Title of publication: (<i>Z</i>)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Sun, Hong-Shun; Xu, Ye-Ming; He, Wei; Tang, Shi-Gui; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o524 - o524
• a: 26.519 ± 0.005 Å
• b: 36.509 ± 0.007 Å
• c: 3.849 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3726.5 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes