Information card for entry 3500070

Structure parameters

• Chemical name: 5-Bromo-2(1H)-pyridone
• Formula: C5 H4 Br N O
• Calculated formula: C5 H4 Br N O
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2017
• a: 13.1602 ± 0.0007 Å
• b: 9.0351 ± 0.0005 Å
• c: 11.5554 ± 0.0009 Å
• α: 90°
• β: 121.185 ± 0.001°
• γ: 90°
• Cell volume: 1175.44 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes