Information card for entry 2221644

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Formula: C10 H12 Cl N O
• Calculated formula: C10 H12 Cl N O
• SMILES: ClCC(=O)Nc1ccc(c(c1)C)C
• Title of publication: 2-Chloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1022
• a: 8.3672 ± 0.0009 Å
• b: 9.8076 ± 0.0009 Å
• c: 12.409 ± 0.001 Å
• α: 95.415 ± 0.008°
• β: 96.492 ± 0.009°
• γ: 97.767 ± 0.009°
• Cell volume: 996.26 ± 0.17 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes