Information card for entry 2225657

Structure parameters

• Chemical name: <i>N</i>-(2-Methylphenyl)succinamic acid
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: c1(c(cccc1)C)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2-Methylphenyl)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: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o908
• a: 4.7756 ± 0.0009 Å
• b: 6.1854 ± 0.0009 Å
• c: 18.275 ± 0.003 Å
• α: 86.2 ± 0.02°
• β: 83.02 ± 0.01°
• γ: 88.45 ± 0.02°
• Cell volume: 534.55 ± 0.16 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: 0.0826
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes