Information card for entry 2221328

Structure parameters

• Common name: 3-Methyl-2-propionamidobutanoic acid
• Chemical name: 3-Methyl-2-propionamidobutanoic acid
• Formula: C8 H15 N O3
• Calculated formula: C8 H15 N O3
• SMILES: O=C(O)C(NC(=O)CC)C(C)C
• Title of publication: 3-Methyl-2-propionamidobutanoic acid
• Authors of publication: Yamin, Bohari M.; Othman, Eliyanti A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o662
• a: 9.477 ± 0.003 Å
• b: 8.633 ± 0.002 Å
• c: 12.766 ± 0.003 Å
• α: 90°
• β: 103.123 ± 0.006°
• γ: 90°
• Cell volume: 1017.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.09
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes