Information card for entry 2201038

Structure parameters

• Formula: C9 H12 N2 O2
• Calculated formula: C9 H12 N2 O2
• SMILES: O(c1cc(ccc1NC(=O)C)N)C
• Title of publication: <i>N</i>-(4-Amino-2-methoxyphenyl)acetamide
• Authors of publication: Robin, Maxime; Galy, Jean-Pierre; Kenz, Ahmed; Pierrot, Marcel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o644 - o645
• a: 13.91 ± 0.0002 Å
• b: 7.989 ± 0.0006 Å
• c: 16.408 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.37 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes