Information card for entry 2221207

Structure parameters

• Common name: <i>N</i>-(2,6-Dimethylphenyl)succinamic acid
• Chemical name: 3-[(2,6-dimethylphenyl)aminocarbonyl]propionic acid
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: c1(c(cccc1C)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)succinamic acid
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o466
• a: 7.9633 ± 0.0008 Å
• b: 19.889 ± 0.002 Å
• c: 7.9822 ± 0.0008 Å
• α: 90°
• β: 111.16 ± 0.01°
• γ: 90°
• Cell volume: 1179 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes