Information card for entry 1543126

Structure parameters

• Common name: Dibromonitrotoluene
• Chemical name: 1,3-Dibromo-2-methyl-5-nitrobenzene
• Formula: C7 H5 Br2 N O2
• Calculated formula: C7 H5 Br2 N O2
• Title of publication: Dibromonitrotoluene
• Authors of publication: Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160621
• a: 8.755 ± 0.005 Å
• b: 9.533 ± 0.005 Å
• c: 10.897 ± 0.005 Å
• α: 91.324 ± 0.005°
• β: 90.517 ± 0.005°
• γ: 103.216 ± 0.005°
• Cell volume: 885.1 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0419
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8477
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes