Information card for entry 2014981

Structure parameters

• Chemical name: 2-acetamido-N-benzyl-2-(methoxyamino)acetamide
• Formula: C12 H17 N3 O3
• Calculated formula: C12 H17 N3 O3
• SMILES: c1ccccc1CNC(=O)C(NC(=O)C)NOC
• Title of publication: 2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants
• Authors of publication: Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o417 - o419
• a: 17.998 ± 0.005 Å
• b: 7.112 ± 0.003 Å
• c: 20.39 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2610 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes