Information card for entry 1551062

Structure parameters

• Chemical name: 2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one
• Formula: C5 H8 N2 O S
• Calculated formula: C5 H8 N2 O S
• SMILES: S1C(=NC(=O)C1(C)C)N
• Title of publication: 2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one
• Authors of publication: Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190613
• a: 6.944 ± 0.0008 Å
• b: 12.1354 ± 0.0016 Å
• c: 8.8283 ± 0.0011 Å
• α: 90°
• β: 98.888 ± 0.011°
• γ: 90°
• Cell volume: 735.01 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes