Information card for entry 2231119

Structure parameters

• Chemical name: <i>N</i>-(5-Bromopyridin-2-yl)acetamide
• Formula: C7 H7 Br N2 O
• Calculated formula: C7 H7 Br N2 O
• SMILES: CC(=O)Nc1ccc(cn1)Br
• Title of publication: <i>N</i>-(5-Bromopyridin-2-yl)acetamide
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Kumar, Rajesha; Isloor, Arun M.; Shivananda, Kammasandra N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2043
• a: 4.0014 ± 0.0003 Å
• b: 8.7232 ± 0.0006 Å
• c: 23.0626 ± 0.0018 Å
• α: 82.127 ± 0.001°
• β: 86.897 ± 0.001°
• γ: 85.932 ± 0.001°
• Cell volume: 794.6 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes