Information card for entry 7062194

Structure parameters

• Common name: 2-((E)-(2-bromophenylimino)methyl)-4-nitrophenol
• Chemical name: 2-((E)-(2-bromophenylimino)methyl)-4-nitrophenol
• Formula: C13 H9 Br N2 O3
• Calculated formula: C13 H9 Br N2 O3
• SMILES: Brc1c(/N=C/c2cc(N(=O)=O)ccc2O)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: 7.4282 ± 0.0009 Å
• b: 11.5053 ± 0.0014 Å
• c: 14.0071 ± 0.0016 Å
• α: 90°
• β: 93.651 ± 0.006°
• γ: 90°
• Cell volume: 1194.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0598
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No