Information card for entry 2228729

Structure parameters

• Chemical name: 2-Amino-4-chlorobenzoic acid
• Formula: C7 H6 Cl N O2
• Calculated formula: C7 H6 Cl N O2
• SMILES: Clc1cc(N)c(cc1)C(=O)O
• Title of publication: 2-Amino-4-chlorobenzoic acid
• Authors of publication: Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o37
• a: 15.4667 ± 0.001 Å
• b: 3.7648 ± 0.0002 Å
• c: 23.7598 ± 0.0015 Å
• α: 90°
• β: 93.015 ± 0.003°
• γ: 90°
• Cell volume: 1381.6 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0363
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes