Information card for entry 2102172

Structure parameters

• Formula: C12 H15 N O2
• Calculated formula: C12 H15 N O2
• Title of publication: Comparison of the structural motifs of acetoacetanilides and related azo pigments
• Authors of publication: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 1046 - 1053
• a: 8.8636 ± 0.0015 Å
• b: 6.605 ± 0.003 Å
• c: 9.2381 ± 0.0017 Å
• α: 90°
• β: 97.804 ± 0.014°
• γ: 90°
• Cell volume: 535.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes