Information card for entry 2206852

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-thiazol-2-ylimidazolidine-1,3-diol
• Formula: C10 H17 N3 O2 S
• Calculated formula: C10 H17 N3 O2 S
• SMILES: s1ccnc1C1N(O)C(C(N1O)(C)C)(C)C
• Title of publication: 4,4,5,5-Tetramethyl-2-(thiazol-2-yl)imidazolidine-1,3-diol
• Authors of publication: Jiang, Kai; Chang, Jiu-Li; Wang, Li-Ya; Ma, Lu-Fang; Wang, Yu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3430 - o3432
• a: 6.9785 ± 0.0005 Å
• b: 18.7982 ± 0.0013 Å
• c: 10.0764 ± 0.0007 Å
• α: 90°
• β: 107.367 ± 0.001°
• γ: 90°
• Cell volume: 1261.59 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes