Information card for entry 2300059

Structure parameters

• Formula: C14 H11 Cl2 N O2
• Calculated formula: C14 H11 Cl2 N O2
• SMILES: c1(ccccc1Nc1c(cccc1Cl)Cl)CC(=O)O
• Title of publication: Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data
• Authors of publication: Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Journal issue: 2
• Pages of publication: 288 - 294
• a: 20.2906 ± 0.0004 Å
• b: 6.9952 ± 0.0001 Å
• c: 20.1137 ± 0.0004 Å
• α: 90°
• β: 109.663 ± 0.001°
• γ: 90°
• Cell volume: 2688.4 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No