Information card for entry 7062196

Structure parameters

• Common name: 2-((E)-(2-bromophenyliminio)methyl)-4-nitrophenolate
• Chemical name: 2-((E)-(2-bromophenyliminio)methyl)-4-nitrophenolate
• Formula: C13 H9 Br N2 O3
• Calculated formula: C13 H9 Br N2 O3
• 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: 7.5948 ± 0.0012 Å
• b: 11.5863 ± 0.0018 Å
• c: 14.055 ± 0.002 Å
• α: 90°
• β: 94.165 ± 0.007°
• γ: 90°
• Cell volume: 1233.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No