Information card for entry 2224595

Structure parameters

• Chemical name: (1<i>R</i>,3<i>S</i>)-3-Hydroxymethyl-<i>N</i>-isopropyl-2,2- dimethylcyclopropanecarboxamide
• Formula: C10 H19 N O2
• Calculated formula: C10 H19 N O2
• SMILES: OC[C@H]1[C@H](C1(C)C)C(=O)NC(C)C
• Title of publication: (1<i>R</i>,3<i>S</i>)-3-Hydroxymethyl-<i>N</i>-isopropyl-2,2-dimethylcyclopropanecarboxamide
• Authors of publication: Zhong, Jiangchun; Zheng, Bing; Hou, Shicong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o118
• a: 9.4628 ± 0.0019 Å
• b: 12.298 ± 0.003 Å
• c: 18.71 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2177.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes