Information card for entry 2221667

Structure parameters

• Chemical name: 4'-Chloro-3',5'-dimethoxyacetanilide
• Formula: C10 H12 Cl N O3
• Calculated formula: C10 H12 Cl N O3
• SMILES: COc1cc(NC(=O)C)cc(c1Cl)OC
• Title of publication: 4'-Chloro-3',5'-dimethoxyacetanilide
• Authors of publication: Li, Huiyu; Zhu, Yanyan; Chen, Zhonghua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1078
• a: 11.1373 ± 0.0014 Å
• b: 15.1159 ± 0.0019 Å
• c: 14.2802 ± 0.0018 Å
• α: 90°
• β: 111.928 ± 0.001°
• γ: 90°
• Cell volume: 2230.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes