Information card for entry 2229427

Structure parameters

• Chemical name: 4-Bromo-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol
• Formula: C13 H9 Br F N O
• Calculated formula: C13 H9 Br F N O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ccc(F)cc1
• Title of publication: 4-Bromo-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol
• Authors of publication: Ardakani, Amir Adabi; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o598
• a: 4.482 ± 0.0002 Å
• b: 20.8088 ± 0.0009 Å
• c: 12.2189 ± 0.0005 Å
• α: 90°
• β: 94.57 ± 0.002°
• γ: 90°
• Cell volume: 1135.97 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes