Information card for entry 2200351

Structure parameters

• Chemical name: 2'-amino-5'-bromoacetophenone
• Formula: C8 H8 Br N O
• Calculated formula: C8 H8 Br N O
• SMILES: Brc1ccc(N)c(c1)C(=O)C
• Title of publication: 2'-Amino-5'-bromoacetophenone
• 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: o540 - o541
• a: 21.9206 ± 0.0006 Å
• b: 7.3583 ± 0.0002 Å
• c: 5.0596 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 816.11 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes