Information card for entry 2212002

Structure parameters

• Chemical name: N-Benzyl-2-(4-nitrophenoxy)acetamide
• Formula: C15 H14 N2 O4
• Calculated formula: C15 H14 N2 O4
• SMILES: O=C(NCc1ccccc1)COc1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-Benzyl-2-(4-nitrophenoxy)acetamide
• Authors of publication: Yu-Liang Zhang; Xiao-Hui Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o752 - o753
• a: 5.821 ± 0.002 Å
• b: 8.96 ± 0.003 Å
• c: 26.909 ± 0.003 Å
• α: 96.397 ± 0.003°
• β: 92.116 ± 0.003°
• γ: 98.07 ± 0.003°
• Cell volume: 1378.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes