Information card for entry 7062193

Structure parameters

• Common name: 2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate
• Chemical name: 2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: Oc1c(N/C=C2\C(=O)C=CC(=C2)N(=O)=O)cccc1
• 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: 6.2847 ± 0.001 Å
• b: 23.555 ± 0.003 Å
• c: 7.7504 ± 0.0012 Å
• α: 90°
• β: 94.788 ± 0.009°
• γ: 90°
• Cell volume: 1143.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1983
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0473
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No