Information card for entry 2224848

Structure parameters

• Chemical name: <i>N</i>-(3-Methylphenyl)succinamic acid
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O=C(Nc1cc(ccc1)C)CCC(=O)O
• Title of publication: <i>N</i>-(3-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: 2
• Pages of publication: o394
• a: 12.0661 ± 0.0008 Å
• b: 20.22 ± 0.001 Å
• c: 8.9398 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2181.1 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes