Information card for entry 2222432

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Nitrobenzylideneamino)benzamide
• Formula: C14 H11 N3 O3
• Calculated formula: C14 H11 N3 O3
• SMILES: N(=C\c1ccc(N(=O)=O)cc1)/c1c(C(=O)N)cccc1
• Title of publication: (<i>E</i>)-2-(4-Nitrobenzylideneamino)benzamide
• Authors of publication: Wang, Shu-Liang; Yang, Ke; Wang, Xiang-Shan; Tu, Shu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1581
• a: 7.3863 ± 0.0002 Å
• b: 12.2657 ± 0.0003 Å
• c: 14.1414 ± 0.0004 Å
• α: 90°
• β: 97.248 ± 0.001°
• γ: 90°
• Cell volume: 1270.95 ± 0.06 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: 0.0451
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes