Information card for entry 2233770

Structure parameters

• Chemical name: <i>N</i>-(2-Chloro-4-methylphenyl)succinamic acid
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: c1(c(cc(cc1)C)Cl)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2-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: o785
• a: 4.8097 ± 0.0008 Å
• b: 7.3909 ± 0.0009 Å
• c: 16.147 ± 0.002 Å
• α: 85.15 ± 0.01°
• β: 85.86 ± 0.01°
• γ: 89.57 ± 0.01°
• Cell volume: 570.45 ± 0.14 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: 0.0677
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes