Information card for entry 2206163

Structure parameters

• Chemical name: N-[(1E)-(2,4-Dinitrophenyl)methylene]aniline
• Formula: C13 H9 N3 O4
• Calculated formula: C13 H9 N3 O4
• SMILES: c1(c(N(=O)=O)cc(N(=O)=O)cc1)/C=N/c1ccccc1
• Title of publication: <i>N</i>-[(<i>E</i>)-(2,4-Dinitrophenyl)methylene]aniline
• Authors of publication: Barys, Maciej; Ciunik, Zbigniew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o1967 - o1969
• a: 7.5001 ± 0.0008 Å
• b: 11.992 ± 0.0013 Å
• c: 14.111 ± 0.0014 Å
• α: 90.867 ± 0.01°
• β: 93.531 ± 0.007°
• γ: 107.084 ± 0.008°
• Cell volume: 1210.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0821
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes