Information card for entry 2217108

Structure parameters

• Common name: 2-bromo-5-iodo-1,3-dimethylbenzene
• Chemical name: 2-Bromo-5-iodo-1,3-dimethylbenzene
• Formula: C8 H8 Br I
• Calculated formula: C8 H8 Br I
• Title of publication: 2-Bromo-5-iodo-1,3-dimethylbenzene
• Authors of publication: Rui Liu; Wen-Yuan Wu; Yu-Hao Li; Shui-Ping Deng; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o280 - o280
• a: 16.686 ± 0.003 Å
• b: 7.064 ± 0.0014 Å
• c: 8.213 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes