Information card for entry 2200350

Structure parameters

• Chemical name: 2'-amino-3',5'-dibromoacetophenone
• Formula: C8 H7 Br2 N O
• Calculated formula: C8 H7 Br2 N O
• SMILES: Brc1c(N)c(cc(Br)c1)C(=O)C
• Title of publication: 2'-Amino-3',5'-dibromoacetophenone
• Authors of publication: Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o538 - o539
• a: 9.147 ± 0.006 Å
• b: 10.138 ± 0.007 Å
• c: 9.699 ± 0.008 Å
• α: 90°
• β: 92.02 ± 0.04°
• γ: 90°
• Cell volume: 898.9 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes