Information card for entry 2001741

Structure parameters

• Chemical name: 3-Methyl-1-hydroxyurea
• Formula: C2 H6 N2 O2
• Calculated formula: C2 H6 N2 O2
• SMILES: CNC(=O)NO
• Title of publication: Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea
• Authors of publication: Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1018 - 1022
• a: 8.202 ± 0.001 Å
• b: 7.081 ± 0.001 Å
• c: 7.316 ± 0.001 Å
• α: 90°
• β: 101.378 ± 0.009°
• γ: 90°
• Cell volume: 416.55 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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 significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.498
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No