Information card for entry 2220954

Structure parameters

• Common name: <i>N</i>-(2-Chlorophenyl)succinamic acid
• Chemical name: 3-[(2-Chlorophenyl)aminocarbonyl]propionic acid
• Formula: C10 H10 Cl N O3
• Calculated formula: C10 H10 Cl N O3
• SMILES: c1(c(cccc1)Cl)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(2-Chlorophenyl)succinamic acid
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o399
• a: 4.9056 ± 0.0005 Å
• b: 11.126 ± 0.001 Å
• c: 18.677 ± 0.002 Å
• α: 90°
• β: 94.92 ± 0.01°
• γ: 90°
• Cell volume: 1015.63 ± 0.18 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes