Information card for entry 2219104

Structure parameters

• Chemical name: (E)-2-(Benzyliminomethyl)-4,6-dibromophenol
• Formula: C14 H11 Br2 N O
• Calculated formula: C14 H11 Br2 N O
• SMILES: Brc1cc(Br)c(O)c(/C=N/Cc2ccccc2)c1
• Title of publication: (<i>E</i>)-2-(Benzyliminomethyl)-4,6-dibromophenol
• Authors of publication: Jiang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1398
• a: 12.086 ± 0.002 Å
• b: 8.326 ± 0.001 Å
• c: 13.576 ± 0.002 Å
• α: 90°
• β: 93.126 ± 0.002°
• γ: 90°
• Cell volume: 1364.1 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes