Information card for entry 7062008

Structure parameters

• Common name: 5-nitro-N-[3-(chloro)phenyl]salicylaldimine
• Chemical name: 2-((E)-(3-chlorophenylimino)methyl-4-nitrophenol
• Formula: C13 H9 Cl N2 O3
• Calculated formula: C13 H9 Cl N2 O3
• SMILES: Clc1cc(/N=C/c2cc(N(=O)=O)ccc2O)ccc1
• 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: 14.743 ± 0.0005 Å
• b: 3.7894 ± 0.001 Å
• c: 21.5528 ± 0.0007 Å
• α: 90°
• β: 91.845 ± 0.003°
• γ: 90°
• Cell volume: 1203.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No