Information card for entry 2235367

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-3-methylphenyl)succinamic acid
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: Clc1c(cc(NC(=O)CCC(=O)O)cc1)C
• Title of publication: <i>N</i>-(4-Chloro-3-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: 7
• Pages of publication: o2003
• a: 6.6253 ± 0.0008 Å
• b: 7.9634 ± 0.0009 Å
• c: 21.545 ± 0.003 Å
• α: 88.57 ± 0.01°
• β: 81.99 ± 0.01°
• γ: 84.25 ± 0.01°
• Cell volume: 1119.9 ± 0.2 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: 0.14
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes