Information card for entry 4507582

Structure parameters

• Chemical name: 2-(2,6-dichlorophenylamine)phenylacetoxyacetic acid
• Formula: C16 H13 Cl2 N O4
• Calculated formula: C16 H13 Cl2 N O4
• SMILES: Clc1c(Nc2c(CC(=O)OCC(=O)O)cccc2)c(Cl)ccc1
• Title of publication: Solubility and Stability Advantage of Aceclofenac Salts
• Authors of publication: Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1590
• a: 12.284 ± 0.003 Å
• b: 8.198 ± 0.002 Å
• c: 15.484 ± 0.004 Å
• α: 90°
• β: 96.174 ± 0.004°
• γ: 90°
• Cell volume: 1550.3 ± 0.7 ų
• Cell temperature: 100 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1288
• 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: No