Information card for entry 2236272

Structure parameters

• Chemical name: 4-Bromo-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol
• Formula: C15 H14 Br N O
• Calculated formula: C15 H14 Br N O
• SMILES: Brc1ccc(O)c(/C=N/c2cc(c(cc2)C)C)c1
• Title of publication: 4-Bromo-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol
• Authors of publication: Tahir, M. Nawaz; Khan, Abdul Haleem; Tariq, Muhammad Ilyas; Hussain, Ishtiaq; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2730
• a: 12.2633 ± 0.001 Å
• b: 7.4805 ± 0.0006 Å
• c: 14.5767 ± 0.0011 Å
• α: 90°
• β: 101.576 ± 0.004°
• γ: 90°
• Cell volume: 1310 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes