Information card for entry 2218374

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-chloromethyl-<i>N</i>-(2-ethyl-6-methylphenyl)acetamide
• Formula: C12 H15 Cl2 N O
• Calculated formula: C12 H15 Cl2 N O
• SMILES: ClCN(c1c(cccc1CC)C)C(=O)CCl
• Title of publication: 2-Chloro-<i>N</i>-chloromethyl-<i>N</i>-(2-ethyl-6-methylphenyl)acetamide
• Authors of publication: Song, Zu-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o991
• a: 8.3012 ± 0.0017 Å
• b: 9.3787 ± 0.0019 Å
• c: 16.575 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1290.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes