Information card for entry 8105296

Structure parameters

• Formula: C6 H8 Cl N3 O2
• Calculated formula: C6 H8 Cl N3 O2
• Title of publication: The crystal structure of 5-chloro-4,6-dimethoxypyrimidin-2-amine, C6H8ClN3O2
• Authors of publication: Yan, Sheng; Xue, Mei; He, Xinyuan; Wang, Chengqian; Wang, Zixin; Wang, Jianlong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 815 - 816
• a: 5.066 ± 0.003 Å
• b: 12.775 ± 0.008 Å
• c: 12.587 ± 0.008 Å
• α: 90°
• β: 94.06 ± 0.008°
• γ: 90°
• Cell volume: 812.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No