Information card for entry 2207972

Structure parameters

• Chemical name: 4-Acetyl-N-methylaniline
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: c1(NC)ccc(C(=O)C)cc1
• Title of publication: 4-Acetyl-<i>N</i>-methylaniline
• Authors of publication: Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o774 - o776
• a: 6.286 ± 0.004 Å
• b: 7.6675 ± 0.0016 Å
• c: 17.358 ± 0.005 Å
• α: 90°
• β: 97.33 ± 0.04°
• γ: 90°
• Cell volume: 829.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1466
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No