Information card for entry 1549007

Structure parameters

• Common name: 2-amino-4,5-dimethylacetophenone
• Chemical name: 1-(2-Amino-4,5-dimethylphenyl)ethanone
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• Title of publication: 1-(2-Amino-4,5-dimethylphenyl)ethanone
• Authors of publication: Bosch, Eric; Jeffries, Laura
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: x180313
• a: 10.4838 ± 0.0007 Å
• b: 6.8965 ± 0.0005 Å
• c: 12.8538 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 929.35 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes