Information card for entry 7062002

Structure parameters

• Common name: 5-nitrosalicylaldehyde-o-aminophenol
• Chemical name: 2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• 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
• a: 6.3334 ± 0.0009 Å
• b: 23.683 ± 0.003 Å
• c: 7.8211 ± 0.001 Å
• α: 90°
• β: 93.769 ± 0.005°
• γ: 90°
• Cell volume: 1170.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1486
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.3586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No