Information card for entry 2209401

Structure parameters

• Chemical name: p-ethoxyacetanilide
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: O(c1ccc(NC(=O)C)cc1)CC
• Title of publication: Redetermination of <i>p</i>-ethoxyacetanilide (phenacetin)
• Authors of publication: Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2712 - o2713
• a: 13.3236 ± 0.0014 Å
• b: 9.6159 ± 0.0015 Å
• c: 7.7331 ± 0.0015 Å
• α: 90°
• β: 103.992 ± 0.014°
• γ: 90°
• Cell volume: 961.4 ± 0.3 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: 0.1
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes