Information card for entry 2228675

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)succinamic acid
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: c1(cc(cc(c1)C)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)succinamic acid
• Authors of publication: Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o234
• a: 14.346 ± 0.002 Å
• b: 5.0225 ± 0.0009 Å
• c: 17.86 ± 0.003 Å
• α: 90°
• β: 112 ± 0.02°
• γ: 90°
• Cell volume: 1193.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes