Information card for entry 2224136

Structure parameters

• Chemical name: 2,4-Dibromo-6-{(<i>E</i>)-[(<i>R</i>)-1-phenylethyl]iminomethyl}phenol
• Formula: C15 H13 Br2 N O
• Calculated formula: C15 H13 Br2 N O
• SMILES: Brc1cc(/C=N/[C@@H](c2ccccc2)C)c(c(c1)Br)O
• Title of publication: 2,4-Dibromo-6-{(<i>E</i>)-[(<i>R</i>)-1-phenylethyl]iminomethyl}phenol
• Authors of publication: Xia, Dong-Guo; Ye, Ya-Fen; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3168
• a: 15.523 ± 0.002 Å
• b: 9.3533 ± 0.0012 Å
• c: 21.527 ± 0.004 Å
• α: 90°
• β: 109.287 ± 0.002°
• γ: 90°
• Cell volume: 2950.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes