Information card for entry 2001740

Structure parameters

• Chemical name: 1-Methyl-1-hydroxyurea
• Formula: C2 H6 N2 O2
• Calculated formula: C2 H6 N2 O S
• SMILES: CN(C(=S)N)O
• 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: 5.2049 ± 0.0009 Å
• b: 23.375 ± 0.004 Å
• c: 13.155 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.5 ± 0.5 ų
• Cell temperature: 122 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No