Information card for entry 2211015

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-(2-thieyl)imidazolidine-1,3-diol
• Formula: C11 H18 N2 O2 S
• Calculated formula: C11 H18 N2 O2 S
• SMILES: s1cccc1C1N(O)C(C(N1O)(C)C)(C)C
• Title of publication: 4,4,5,5-Tetramethyl-2-(2-thienyl)imidazolidine-1,3-diol
• Authors of publication: Kai Jiang; Xiao-Qiang Wang; Li-Ya Wang; Yu-Fang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4814 - o4815
• a: 10.6715 ± 0.0009 Å
• b: 13.7064 ± 0.0011 Å
• c: 9.2785 ± 0.0008 Å
• α: 90°
• β: 110.176 ± 0.001°
• γ: 90°
• Cell volume: 1273.87 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes