Information card for entry 2228653

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dimethylphenyl)succinamic acid
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: c1(c(c(ccc1)C)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2,3-Dimethylphenyl)succinamic acid
• Authors of publication: Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o236
• a: 4.8379 ± 0.0004 Å
• b: 10.0424 ± 0.0006 Å
• c: 11.9876 ± 0.0008 Å
• α: 90.222 ± 0.006°
• β: 99.614 ± 0.007°
• γ: 98.506 ± 0.006°
• Cell volume: 567.67 ± 0.07 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: 0.0713
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes