Information card for entry 2237220

Structure parameters

• Chemical name: 4,6-Dimethylpyrimidin-2-amine
• Formula: C6 H9 N3
• Calculated formula: C6 H9 N3
• SMILES: Nc1nc(cc(n1)C)C
• Title of publication: 4,6-Dimethylpyrimidin-2-amine
• Authors of publication: Fu, Wei-Wei; Liu, Yang; Huang, Geng; Zhu, Xiao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o32
• a: 11.519 ± 0.007 Å
• b: 11.021 ± 0.006 Å
• c: 32.386 ± 0.018 Å
• α: 90°
• β: 91.112 ± 0.01°
• γ: 90°
• Cell volume: 4111 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1047
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes