Information card for entry 2233337

Structure parameters

• Chemical name: <i>N</i>-(2-Chloro-5-methylphenyl)succinamic acid
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: Clc1c(NC(=O)CCC(=O)O)cc(cc1)C
• Title of publication: <i>N</i>-(2-Chloro-5-methylphenyl)succinamic acid
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Chaithanya, U.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o221
• a: 23.78 ± 0.005 Å
• b: 4.7784 ± 0.0007 Å
• c: 23.892 ± 0.005 Å
• α: 90°
• β: 121.2 ± 0.01°
• γ: 90°
• Cell volume: 2322.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes