Information card for entry 2223795

Structure parameters

• Chemical name: 5-Chloropyrimidin-2-amine
• Formula: C4 H4 Cl N3
• Calculated formula: C4 H4 Cl N3
• SMILES: Clc1cnc(nc1)N
• Title of publication: 5-Chloropyrimidin-2-amine
• Authors of publication: Wang, Bin; Lu, Ran-Zhe; Han, Lu-Na; Wei, Wen-Bin; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2863
• a: 7.638 ± 0.0015 Å
• b: 8.224 ± 0.0016 Å
• c: 17.1 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes