Information card for entry 2229511

Structure parameters

• Chemical name: 2,3-Dibromo-3-(5-nitro-2-furyl)-1-phenylpropan-1-one
• Formula: C13 H9 Br2 N O4
• Calculated formula: C13 H9 Br2 N O4
• Title of publication: 2,3-Dibromo-3-(5-nitro-2-furyl)-1-phenylpropan-1-one
• Authors of publication: Shahani, Tara; Fun, Hoong-Kun; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o546
• a: 8.6939 ± 0.0007 Å
• b: 8.7834 ± 0.0008 Å
• c: 10.4722 ± 0.0009 Å
• α: 89.334 ± 0.002°
• β: 69.846 ± 0.002°
• γ: 68.114 ± 0.002°
• Cell volume: 690.32 ± 0.1 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: 0.0544
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes