Information card for entry 2221701

Structure parameters

• Chemical name: 3-[(3,4-Dichlorophenyl)aminocarbonyl]propionic acid
• Formula: C10 H9 Cl2 N O3
• Calculated formula: C10 H9 Cl2 N O3
• SMILES: Clc1cc(NC(=O)CCC(=O)O)ccc1Cl
• Title of publication: 3-[(3,4-Dichlorophenyl)aminocarbonyl]propionic acid
• Authors of publication: Shah, Farooq Ali; Tahir, M. Nawaz; Ali, Saqib; Ahmed, Sajjad; Danish, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1130
• a: 4.8441 ± 0.0004 Å
• b: 10.3388 ± 0.001 Å
• c: 22.457 ± 0.002 Å
• α: 90°
• β: 90.613 ± 0.003°
• γ: 90°
• Cell volume: 1124.63 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes