Information card for entry 2223486

Structure parameters

• Chemical name: 4-(1-hydroxyimino)ethyl-<i>N</i>-(4'-nitrobenzylidene)aniline
• Formula: C15 H13 N3 O3
• Calculated formula: C15 H13 N3 O3
• SMILES: N(=C(C)\c1ccc(/N=C/c2ccc(N(=O)=O)cc2)cc1)/O
• Title of publication: 4-[1-(Hydroxyimino)ethyl]-<i>N</i>-(4-nitrobenzylidene)aniline
• Authors of publication: Zhao, Li; Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Xu, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2462
• a: 7.375 ± 0.001 Å
• b: 10.77 ± 0.002 Å
• c: 16.906 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1342.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes