Information card for entry 2222601

Structure parameters

• Common name: <i>N</i>-(2,4,6-Trimethylphenyl)succinamic acid
• Chemical name: 3-[(2,4,6-trimethylphenyl)aminocarbonyl]propionic acid
• Formula: C13 H17 N O3
• Calculated formula: C13 H17 N O3
• SMILES: c1(c(cc(cc1C)C)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2,4,6-Trimethylphenyl)succinamic acid
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2056
• a: 4.7646 ± 0.0004 Å
• b: 10.859 ± 0.001 Å
• c: 13.111 ± 0.002 Å
• α: 70.217 ± 0.008°
• β: 86.158 ± 0.008°
• γ: 79.351 ± 0.008°
• Cell volume: 627.31 ± 0.13 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes