Information card for entry 2233143

Structure parameters

• Chemical name: Ethyl 2-(3,5-dinitrobenzamido)benzoate
• Formula: C16 H13 N3 O7
• Calculated formula: C16 H13 N3 O7
• SMILES: O(C(=O)c1ccccc1NC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)CC
• Title of publication: Ethyl 2-(3,5-dinitrobenzamido)benzoate
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o129
• a: 12.4662 ± 0.0004 Å
• b: 17.7213 ± 0.0005 Å
• c: 7.4352 ± 0.0002 Å
• α: 90°
• β: 96.658 ± 0.002°
• γ: 90°
• Cell volume: 1631.49 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes