Information card for entry 2220329

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2-(2-chloro-5-methylphenoxy)acetamide
• Formula: C16 H16 Cl N O2
• Calculated formula: C16 H16 Cl N O2
• SMILES: Clc1c(OCC(=O)NCc2ccccc2)cc(cc1)C
• Title of publication: <i>N</i>-Benzyl-2-(2-chloro-5-methylphenoxy)acetamide
• Authors of publication: Li, Zhu-Bo; He, Xiao-Yan; Xie, Yong-Sheng; Qin, Guang-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2426
• a: 9.5549 ± 0.0018 Å
• b: 11.086 ± 0.002 Å
• c: 14.725 ± 0.003 Å
• α: 71.747 ± 0.004°
• β: 89.062 ± 0.004°
• γ: 85.655 ± 0.004°
• Cell volume: 1477 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes