Information card for entry 2225102

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dimethylphenyl)succinamic acid
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: O=C(Nc1ccc(c(c1)C)C)CCC(=O)O
• Title of publication: <i>N</i>-(3,4-Dimethylphenyl)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: o436
• a: 9.736 ± 0.001 Å
• b: 9.919 ± 0.001 Å
• c: 12.601 ± 0.002 Å
• α: 106.42 ± 0.01°
• β: 100.98 ± 0.01°
• γ: 99.81 ± 0.01°
• Cell volume: 1112.9 ± 0.3 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: 0.0682
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1176
• 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