Information card for entry 2009961

Structure parameters

• Chemical name: 6-amino-1,3-dimethyl-5-hydroxoiminomethyluracil
• Formula: C7 H10 N4 O3
• Calculated formula: C7 H10 N4 O3
• SMILES: O/N=C/C1=C(N)N(C)C(=O)N(C1=O)C
• Title of publication: 6-Amino-5-hydroxyiminomethyl-1,3-dimethyluracil
• Authors of publication: Low, John N.; Ferguson, George; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1328 - 1329
• a: 23.074 ± 0.0019 Å
• b: 23.074 ± 0.0019 Å
• c: 6.9535 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702.1 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No