Information card for entry 2311120

Structure parameters

• Chemical name: 4-Bromo-2-[(<i>E</i>)-(2-fluoro-5-nitrophenyl)iminomethyl]phenol
• Formula: C13 H8 Br F N2 O3
• Calculated formula: C13 H8 Br F N2 O3
• SMILES: Brc1ccc(O)c(c1)/C=N/c1c(F)ccc(N(=O)=O)c1
• Title of publication: 4-Bromo-2-[(E)-(2-fluoro-5-nitro-phenyl)iminometh-yl]phenol.
• Authors of publication: Mohamed, Shaaban K.; Akkurt, Mehmet; Horton, Peter N.; Abdelhamid, Antar A.; Marzouk, Adel A.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 1
• Pages of publication: o107
• a: 4.5082 ± 0.0009 Å
• b: 19.815 ± 0.004 Å
• c: 13.853 ± 0.003 Å
• α: 90°
• β: 95.484 ± 0.005°
• γ: 90°
• Cell volume: 1231.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No