Information card for entry 2220949

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline
• Formula: C16 H16 Br N O3
• Calculated formula: C16 H16 Br N O3
• SMILES: Brc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1
• Title of publication: 4-Bromo-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline
• Authors of publication: Khalaji, Aliakbar Dehno; Weil, Matthias; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o436
• a: 7.1951 ± 0.0004 Å
• b: 8.3722 ± 0.0005 Å
• c: 13.2882 ± 0.0008 Å
• α: 90°
• β: 104.413 ± 0.003°
• γ: 90°
• Cell volume: 775.27 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes