Information card for entry 8104611

Structure parameters

• Formula: C6 H7 Br N2 O2
• Calculated formula: C6 H7 Br N2 O2
• Title of publication: The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2
• Authors of publication: Du, Chao-Jun; Niu, De-Long; Yan, Zhen-Li; Zheng, Shi-Li; Zeng, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1375 - 1376
• a: 7.3026 ± 0.0004 Å
• b: 7.4618 ± 0.0004 Å
• c: 7.8746 ± 0.0004 Å
• α: 81.542 ± 0.003°
• β: 89.459 ± 0.003°
• γ: 61.718 ± 0.003°
• Cell volume: 372.86 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0256
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No