Information card for entry 2235414

Structure parameters

• Chemical name: 2,4-Dibromo-1,3-dimethoxy-5-methylbenzene
• Formula: C9 H10 Br2 O2
• Calculated formula: C9 H10 Br2 O2
• SMILES: c1(c(cc(c(c1C)Br)OC)OC)Br
• Title of publication: 2,4-Dibromo-1,3-dimethoxy-5-methylbenzene
• Authors of publication: Pawar, Sunayna; Shaikh, Mahidansha; Koorbanally, Neil; Omondi, Bernard; Ramjugernath, Deresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2062
• a: 8.7653 ± 0.0002 Å
• b: 16.4434 ± 0.0003 Å
• c: 13.8895 ± 0.0003 Å
• α: 90°
• β: 91.715 ± 0.001°
• γ: 90°
• Cell volume: 2001.02 ± 0.07 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes