Information card for entry 2221825

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(3-chlorophenyl)acetamide
• Formula: C8 H7 Cl2 N O
• Calculated formula: C8 H7 Cl2 N O
• SMILES: ClCC(=O)Nc1cccc(c1)Cl
• Title of publication: 2-Chloro-<i>N</i>-(3-chlorophenyl)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: o949
• a: 4.897 ± 0.001 Å
• b: 17.379 ± 0.003 Å
• c: 21.484 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.4 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.185
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes