Information card for entry 2229850

Structure parameters

• Chemical name: <i>N</i>-Ethyl-3,5-dinitrobenzamide
• Formula: C9 H9 N3 O5
• Calculated formula: C9 H9 N3 O5
• SMILES: c1c(N(=O)=O)cc(N(=O)=O)cc1C(=O)NCC
• Title of publication: <i>N</i>-Ethyl-3,5-dinitrobenzamide
• Authors of publication: Xu, Jia-Ying; Cheng, Wei-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o822
• a: 4.854 ± 0.001 Å
• b: 10.488 ± 0.002 Å
• c: 10.851 ± 0.002 Å
• α: 101.49 ± 0.03°
• β: 97.84 ± 0.03°
• γ: 95.25 ± 0.03°
• Cell volume: 532.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes