Information card for entry 2210775

Structure parameters

• Chemical name: 2-Chloro-N-(4-chloro-2-nitrophenyl)acetamide
• Formula: C8 H6 Cl2 N2 O3
• Calculated formula: C8 H6 Cl2 N2 O3
• SMILES: ClCC(=O)Nc1ccc(Cl)cc1N(=O)=O
• Title of publication: 2-Chloro-<i>N</i>-(4-chloro-2-nitrophenyl)acetamide
• Authors of publication: Shu-Sheng Zhang; Li-Li Xu; Jin Zou; Sai Bi; Yong-Hong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4478 - o4479
• a: 5.2652 ± 0.0011 Å
• b: 19.641 ± 0.006 Å
• c: 9.577 ± 0.0019 Å
• α: 90°
• β: 96.474 ± 0.007°
• γ: 90°
• Cell volume: 984.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes