Information card for entry 2236547

Structure parameters

• Chemical name: 2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide
• Formula: C8 H5 Cl3 N2 O3
• Calculated formula: C8 H5 Cl3 N2 O3
• SMILES: C(C(=O)Nc1cccc(c1)N(=O)=O)(Cl)(Cl)Cl
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide
• Authors of publication: Prabhu, A. N.; Upadhyaya, V.; Girisha, K. S.; Naveena, C. S.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2832
• a: 11.5164 ± 0.0008 Å
• b: 10.1427 ± 0.0005 Å
• c: 19.9054 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2325.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes