Information card for entry 7062204

Structure parameters

• Chemical name: 2-((E)-(4-methoxyphenylimino)methyl)-4-nitrophenol
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: Oc1ccc(N(=O)=O)cc1/C=N/c1ccc(OC)cc1
• Title of publication: Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects
• Authors of publication: Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 20940 - 20950
• a: 3.8169 ± 0.0005 Å
• b: 21.416 ± 0.003 Å
• c: 15.22 ± 0.003 Å
• α: 90°
• β: 96.042 ± 0.005°
• γ: 90°
• Cell volume: 1237.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0616
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No