Information card for entry 2013361

Structure parameters

• Chemical name: 4-Amino-2,6-dimethoxypyrimidine
• Formula: C6 H9 N3 O2
• Calculated formula: C6 H9 N3 O2
• SMILES: n1c(OC)nc(N)cc1OC
• Title of publication: 4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π‒π-stacking interaction
• Authors of publication: Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o202 - o204
• a: 13.5867 ± 0.0006 Å
• b: 7.8621 ± 0.0002 Å
• c: 13.9932 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1494.75 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes