Information card for entry 2009392

Structure parameters

• Formula: C13 H16 N2 O3
• Calculated formula: C13 H16 N2 O3
• SMILES: CC(NC(=O)C(=O)c1ccccc1NC(=O)C)C
• Title of publication: Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~
• Authors of publication: Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 87 - 88
• a: 9.892 ± 0.002 Å
• b: 9.846 ± 0.001 Å
• c: 14.169 ± 0.002 Å
• α: 90°
• β: 107.52 ± 0.01°
• γ: 90°
• Cell volume: 1316 ± 0.4 ų
• Cell temperature: 292 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No