Information card for entry 2229718

Structure parameters

• Chemical name: 2-(4-Chlorobenzamido)acetic acid
• Formula: C9 H8 Cl N O3
• Calculated formula: C9 H8 Cl N O3
• SMILES: Clc1ccc(cc1)C(=O)NCC(=O)O
• Title of publication: 2-(4-Chlorobenzamido)acetic acid
• Authors of publication: Khan, Islam Ullah; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o916
• a: 10.5035 ± 0.0002 Å
• b: 13.2105 ± 0.0004 Å
• c: 7.1226 ± 0.0002 Å
• α: 90°
• β: 102.203 ± 0.001°
• γ: 90°
• Cell volume: 965.98 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes