Information card for entry 2237101

Structure parameters

• Common name: 1,5-dibromo-2,4-dimethoxybenzene
• Chemical name: 1,5-Dibromo-2,4-dimethoxybenzene
• Formula: C8 H8 Br2 O2
• Calculated formula: C8 H8 Br2 O2
• SMILES: Brc1cc(Br)c(OC)cc1OC
• Title of publication: 1,5-Dibromo-2,4-dimethoxybenzene
• Authors of publication: Vijesh, A. M.; Isloor, Arun M.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3479
• a: 7.7944 ± 0.0002 Å
• b: 8.5884 ± 0.0004 Å
• c: 14.7877 ± 0.0004 Å
• α: 90°
• β: 107.838 ± 0.001°
• γ: 90°
• Cell volume: 942.32 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes