Information card for entry 2017141

Structure parameters

• Common name: 6-Amino-3-methyluracil-5-carbaldehyde
• Chemical name: 6-amino-5-formyl-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C6 H7 N3 O3
• Calculated formula: C6 H7 N3 O3
• SMILES: N1C(=O)N(C(=O)C(=C1N)C=O)C
• Title of publication: Nonmerohedrally twinned 6-amino-3-methyluracil-5-carbaldehyde: a hydrogen-bonded ribbon containing four types of ring
• Authors of publication: de la Torre, José M.; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o281 - o283
• a: 6.6749 ± 0.0004 Å
• b: 5.0712 ± 0.0005 Å
• c: 19.7422 ± 0.0004 Å
• α: 90°
• β: 99.996 ± 0.002°
• γ: 90°
• Cell volume: 658.12 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes