Information card for entry 2210756

Structure parameters

• Chemical name: 2-Chloro-N-(4-nitrophenyl)acetamide
• Formula: C8 H7 Cl N2 O3
• Calculated formula: C8 H7 Cl N2 O3
• SMILES: ClCC(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: 2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide
• Authors of publication: Yong-Hong Wen; Xue-Mei Li; Li-Li Xu; Xiao-Fang Tang; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4427 - o4428
• a: 9.498 ± 0.002 Å
• b: 9.457 ± 0.002 Å
• c: 20.205 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes