Information card for entry 2228807

Structure parameters

• Chemical name: 2,3-Dibromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
• Formula: C14 H11 Br2 N O4
• Calculated formula: C14 H11 Br2 N O4
• Title of publication: 2,3-Dibromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o79
• a: 8.7766 ± 0.0003 Å
• b: 9.0386 ± 0.0003 Å
• c: 10.4841 ± 0.0003 Å
• α: 87.601 ± 0.002°
• β: 75.505 ± 0.002°
• γ: 69.554 ± 0.002°
• Cell volume: 753.53 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes