Information card for entry 2219111

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide
• Formula: C16 H16 Cl N O2
• Calculated formula: C16 H16 Cl N O2
• SMILES: N(C(=O)COc1c(Cl)cc(C)cc1)Cc1ccccc1
• Title of publication: <i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide
• Authors of publication: Li, Zhu-Bo; Zuo, Hua; Dong, Wen-Liang; He, Xiao-Yan; Chen, Zhang-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1609
• a: 11.99 ± 0.0018 Å
• b: 9.2986 ± 0.0014 Å
• c: 25.868 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes