Information card for entry 2241998

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-nitrophenol
• Formula: C19 H15 N3 O3
• Calculated formula: C19 H15 N3 O3
• SMILES: Oc1ccc(N(=O)=O)cc1/C=N/c1ccc(Nc2ccccc2)cc1
• Title of publication: Crystal structure of (<i>E</i>)-2-{[(4-anilinophenyl)imino]methyl}-4-nitrophenol
• Authors of publication: Faizi, Md. Serajul Haque; Haque, Ashanul; Kalibabchuk, Valentina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 112 - 114
• a: 6.4243 ± 0.0012 Å
• b: 31.818 ± 0.006 Å
• c: 7.6595 ± 0.0014 Å
• α: 90°
• β: 100.736 ± 0.005°
• γ: 90°
• Cell volume: 1538.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes