Information card for entry 2222556

Structure parameters

• Chemical name: 2-Bromo-<i>N</i>-(2-chlorophenyl)acetamide
• Formula: C8 H7 Br Cl N O
• Calculated formula: C8 H7 Br Cl N O
• SMILES: c1(c(cccc1)Cl)NC(=O)CBr
• Title of publication: 2-Bromo-<i>N</i>-(2-chlorophenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut; Terao, Hiromitsu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1998
• a: 9.9781 ± 0.0009 Å
• b: 4.7161 ± 0.0005 Å
• c: 20.028 ± 0.002 Å
• α: 90°
• β: 102.194 ± 0.009°
• γ: 90°
• Cell volume: 921.21 ± 0.16 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes