Information card for entry 2216006

Structure parameters

• Chemical name: (Z)-5-(2-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/c2c(F)cccc2)C(=O)NC1=O
• Title of publication: (<i>Z</i>)-5-(2-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Sun, Hong-shun; Yao, Chuan-hao; He, Wei; Tang, Shi-gui; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4473 - o4473
• a: 5.12 ± 0.001 Å
• b: 21.189 ± 0.004 Å
• c: 9.031 ± 0.0018 Å
• α: 90°
• β: 105.49 ± 0.03°
• γ: 90°
• Cell volume: 944.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes