Information card for entry 8104942

Structure parameters

• Common name: 1-bromo-4-iodo-benzene
• Chemical name: 1-bromo-4-iodo-benzene
• Formula: C6 H4 Br I
• Calculated formula: C6 H4 Br I
• Title of publication: The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 267 - 268
• a: 4.1704 ± 0.0006 Å
• b: 5.8242 ± 0.0008 Å
• c: 14.929 ± 0.002 Å
• α: 90°
• β: 97.315 ± 0.005°
• γ: 90°
• Cell volume: 359.66 ± 0.09 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: 0.0364
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No