Information card for entry 2218394

Structure parameters

• Chemical name: (<i>S</i>)-<i>N</i>-(1-Hydroxymethyl-2-methylpropyl)-2-methoxybenzamide
• Formula: C13 H19 N O3
• Calculated formula: C13 H19 N O3
• SMILES: O(c1ccccc1C(=O)N[C@H](CO)C(C)C)C
• Title of publication: (<i>S</i>)-<i>N</i>-(1-Hydroxymethyl-2-methylpropyl)-2-methoxybenzamide
• Authors of publication: Li, Jihong; Wang, Wenhai; Lan, Jingbo; You, Jingsong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1052
• a: 9.015 ± 0.004 Å
• b: 10.386 ± 0.004 Å
• c: 14.005 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.3 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes