Information card for entry 2004312

Structure parameters

• Formula: C17 H12 Br F N2 O2
• Calculated formula: C17 H12 Br F N2 O2
• SMILES: Fc1ccc(cc1)/C=C1\NC(=O)N(C1=O)Cc1ccc(cc1)Br
• Title of publication: 3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione
• Authors of publication: De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2620 - 2621
• a: 5.175 ± 0.001 Å
• b: 11.172 ± 0.002 Å
• c: 14.057 ± 0.002 Å
• α: 82.46 ± 0.01°
• β: 81.7 ± 0.02°
• γ: 77.03 ± 0.02°
• Cell volume: 779.6 ± 0.2 ų
• Cell temperature: 292 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 1.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No