Information card for entry 2224245

Structure parameters

• Common name: 6-Bromopyridine-2-carboxamide
• Chemical name: 6-Bromopyridine-2-carboxamide
• Formula: C6 H5 Br N2 O
• Calculated formula: C6 H5 Br N2 O
• SMILES: Brc1nc(ccc1)C(=O)N
• Title of publication: 6-Bromopyridine-2-carboxamide
• Authors of publication: Xue, Feng; Ju, Shen-gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3161
• a: 13.034 ± 0.003 Å
• b: 6.405 ± 0.0013 Å
• c: 8.554 ± 0.0017 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 711.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1138
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes