Information card for entry 8104822

Structure parameters

• Common name: 2-amino-2-methyl-propane-1,3-diole
• Chemical name: 2-amino-2-methyl-propane-1,3-diole
• Formula: C4 H11 N O2
• Calculated formula: C4 H11 N O2
• Title of publication: Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 333 - 334
• a: 6.0864 ± 0.0004 Å
• b: 10.9696 ± 0.0008 Å
• c: 8.5928 ± 0.0005 Å
• α: 90°
• β: 93.36 ± 0.003°
• γ: 90°
• Cell volume: 572.72 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0335
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No