Information card for entry 2004343

Structure parameters

• Chemical name: 6-Amino-1-methyl-5-hydroxoiminomethyluracil Hydrate
• Formula: C6 H10 N4 O4
• Calculated formula: C6 H10 N4 O4
• SMILES: N1(C)C(=O)NC(=O)C(/C=N/O)=C1N.O
• Title of publication: 6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate
• Authors of publication: Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 170 - 172
• a: 4.6528 ± 0.0006 Å
• b: 8.98 ± 0.0009 Å
• c: 20.5944 ± 0.0014 Å
• α: 90°
• β: 91.752 ± 0.008°
• γ: 90°
• Cell volume: 860.08 ± 0.15 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No