Information card for entry 2234947

Structure parameters

• Chemical name: <i>N</i>-(3-Chloro-2-methylphenyl)succinamic acid
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: Clc1c(c(NC(=O)CCC(=O)O)ccc1)C
• Title of publication: <i>N</i>-(3-Chloro-2-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: 6
• Pages of publication: o1869
• a: 4.7672 ± 0.0009 Å
• b: 6.297 ± 0.001 Å
• c: 19.135 ± 0.003 Å
• α: 87.24 ± 0.01°
• β: 83.95 ± 0.01°
• γ: 88.28 ± 0.02°
• Cell volume: 570.37 ± 0.17 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: 0.0914
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes