Information card for entry 2237041

Structure parameters

• Common name: 2-chloro-6-methylpyrimidin-4-amine
• Chemical name: 2-Chloro-6-methylpyrimidin-4-amine
• Formula: C5 H6 Cl N3
• Calculated formula: C5 H6 Cl N3
• SMILES: c1(Cl)nc(cc(n1)N)C
• Title of publication: 2-Chloro-6-methylpyrimidin-4-amine
• Authors of publication: Dong, Su-Lan; Cheng, Xiaochun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3455
• a: 7.1256 ± 0.0008 Å
• b: 7.8537 ± 0.0008 Å
• c: 13.0769 ± 0.0015 Å
• α: 90°
• β: 115.678 ± 0.001°
• γ: 90°
• Cell volume: 659.54 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes