Information card for entry 2212955

Structure parameters

• Chemical name: N-(2-Bromophenyl)pyridine-3-carboxamide
• Formula: C12 H9 Br N2 O
• Calculated formula: C12 H9 Br N2 O
• SMILES: c1(ccccc1NC(=O)c1cccnc1)Br
• Title of publication: <i>N</i>-(2-Bromophenyl)pyridine-3-carboxamide
• Authors of publication: Percival, Darryl; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1851 - o1852
• a: 8.1505 ± 0.0003 Å
• b: 9.3471 ± 0.0004 Å
• c: 29.5889 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2254.19 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes