Information card for entry 2233755

Structure parameters

• Chemical name: <i>N</i>-(3-Chloro-4-methylphenyl)succinamic acid
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: c1(cc(c(cc1)C)Cl)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(3-Chloro-4-methylphenyl)succinamic acid
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o835
• a: 6.8788 ± 0.0009 Å
• b: 7.9713 ± 0.0009 Å
• c: 21.119 ± 0.003 Å
• α: 86.76 ± 0.01°
• β: 86.48 ± 0.01°
• γ: 79.45 ± 0.01°
• Cell volume: 1135.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes