Information card for entry 2235108

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol
• Formula: C19 H22 Br N O
• Calculated formula: C19 H22 Br N O
• SMILES: Brc1ccc(c(c1)/C=N/c1c(cccc1C(C)C)C(C)C)O
• Title of publication: (<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol
• Authors of publication: Balamurugan, P.; Raja, K. Kanmani; Rani, S. Kutti; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1782
• a: 6.1851 ± 0.0012 Å
• b: 12.759 ± 0.003 Å
• c: 22.698 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes