Information card for entry 2217124

Structure parameters

• Common name: 5-bromo-2-iodo-1,3-dimethylbenzene
• Chemical name: 5-Bromo-2-iodo-1,3-dimethylbenzene
• Formula: C8 H8 Br I
• Calculated formula: C8 H8 Br I
• SMILES: Ic1c(C)cc(Br)cc1C
• Title of publication: 5-Bromo-2-iodo-1,3-dimethylbenzene
• Authors of publication: Liu, Rui; Li, Yu-Hao; Luo, Wei; Liu, Shan; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o219 - o219
• a: 10.282 ± 0.002 Å
• b: 11.314 ± 0.002 Å
• c: 12.951 ± 0.003 Å
• α: 69.27 ± 0.03°
• β: 89.11 ± 0.03°
• γ: 83.7 ± 0.03°
• Cell volume: 1400.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes