Information card for entry 8104863

Structure parameters

• Common name: 2,6-dibromo-4-fluoroaniline
• Chemical name: 2,6-dibromo-4-fluoroaniline
• Formula: C6 H4 Br2 F N
• Calculated formula: C6 H4 Br2 F N
• Title of publication: The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN
• 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: 2
• Pages of publication: 475 - 477
• a: 17.0332 ± 0.0005 Å
• b: 4.3407 ± 0.0001 Å
• c: 21.9732 ± 0.0005 Å
• α: 90°
• β: 109.691 ± 0.001°
• γ: 90°
• Cell volume: 1529.61 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No