Information card for entry 2206813

Structure parameters

• Common name: para-fluorobenzalhydantoin
• Chemical name: 5-(4-Fluorobenzylidene)imidazolidine-2,4-dione
• Formula: C10 H7 F N2 O2
• Calculated formula: C10 H7 F N2 O2
• SMILES: Fc1ccc(cc1)/C=C1\NC(=O)NC1=O
• Title of publication: 5-(4-Fluorobenzylidene)imidazolidine-2,4-dione
• Authors of publication: Jia, Hong-Hua; Ni, Fang; Wang, Jun; Wei, Ping; Ouyang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2784 - o2786
• a: 3.825 ± 0.0008 Å
• b: 6.241 ± 0.0012 Å
• c: 18.988 ± 0.004 Å
• α: 90°
• β: 95.25 ± 0.03°
• γ: 90°
• Cell volume: 451.38 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes