Information card for entry 2014982

Structure parameters

• Chemical name: 2-acetamido-N-benzyl-2-[methoxy(methyl)amino]acetamide
• Formula: C13 H19 N3 O3
• Calculated formula: C13 H19 N3 O3
• SMILES: O=C(NCc1ccccc1)C(NC(=O)C)N(OC)C
• 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: 4.859 ± 0.002 Å
• b: 10.587 ± 0.003 Å
• c: 14.168 ± 0.004 Å
• α: 86.84 ± 0.02°
• β: 80.66 ± 0.03°
• γ: 80.28 ± 0.03°
• Cell volume: 708.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1628
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes