Information card for entry 1504386

Structure parameters

• Common name: 4-amino-2,6-dimethylpyrimidine
• Chemical name: 4-amino-2,6-dimethylpyrimidine
• Formula: C6 H9 N3
• Calculated formula: C6 H9 N3
• SMILES: n1c(N)cc(C)nc1C
• Title of publication: Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta.
• Authors of publication: Olejniczak, Anna; Katrusiak, Andrzej
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 24
• Pages of publication: 7183 - 7190
• a: 7.489 ± 0.004 Å
• b: 7.882 ± 0.004 Å
• c: 11.793 ± 0.007 Å
• α: 90°
• β: 99.48 ± 0.05°
• γ: 90°
• Cell volume: 686.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 100 kPa
• Number of distinct elements: 3
• 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: 0.3517
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No