Information card for entry 2213270

Structure parameters

• Chemical name: N-(3,5-dichlorophenyl)-2,2,2-trimethylacetamide
• Formula: C11 H13 Cl2 N O
• Calculated formula: C11 H13 Cl2 N O
• SMILES: CC(C)(C)C(=O)Nc1cc(cc(c1)Cl)Cl
• Title of publication: <i>N</i>-(3,5-Dichlorophenyl)-2,2,2-trimethylacetamide
• Authors of publication: Gowda, B. Thimme; Kožíšek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2071 - o2072
• a: 10.655 ± 0.002 Å
• b: 9.999 ± 0.003 Å
• c: 23.275 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2479.7 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.174
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes