Information card for entry 2242642

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide
• Formula: C17 H16 N4 O6
• Calculated formula: C17 H16 N4 O6
• SMILES: O=C(Nc1c(N(=O)=O)cccc1)CCCC(=O)Nc1c(N(=O)=O)cccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide
• Authors of publication: Salian, Akshatha R.; Foro, Sabine; Kumar, S. Madan; Thimme Gowda, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1455 - 1459
• a: 9.625 ± 0.001 Å
• b: 9.673 ± 0.001 Å
• c: 18.5 ± 0.002 Å
• α: 95.37 ± 0.01°
• β: 93.38 ± 0.01°
• γ: 92.77 ± 0.01°
• Cell volume: 1709.3 ± 0.3 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: 0.1056
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes