Information card for entry 8104550

Structure parameters

• Formula: C6 H7 Br N2 O2
• Calculated formula: C6 H7 Br N2 O2
• Title of publication: The crystal structure of 6-amino-2-carboxypyridin-1-ium bromide, C6H7BrN2O2
• Authors of publication: Cui, Mengbing; Zeng, Yan; Li, Yong; Chen, Heng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1145 - 1146
• a: 23.747 ± 0.0019 Å
• b: 5.4355 ± 0.0004 Å
• c: 15.3336 ± 0.0011 Å
• α: 90°
• β: 127.291 ± 0.002°
• γ: 90°
• Cell volume: 1574.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0461
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No