Information card for entry 1558931

Structure parameters

• Chemical name: <i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide
• Formula: C10 H11 N3 O6
• Calculated formula: C10 H11 N3 O6
• SMILES: O(c1cc(N(=O)=O)c(NC(=O)C)cc1N(=O)=O)CC
• Title of publication: <i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide
• Authors of publication: Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 8
• Pages of publication: x201121
• a: 6.7463 ± 0.0003 Å
• b: 9.036 ± 0.0004 Å
• c: 9.3954 ± 0.0004 Å
• α: 81.005 ± 0.002°
• β: 85.099 ± 0.002°
• γ: 88.7 ± 0.002°
• Cell volume: 563.6 ± 0.04 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0481
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes