Information card for entry 2242377

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol
• Formula: C16 H16 Br N O3
• Calculated formula: C16 H16 Br N O3
• SMILES: c1(c(c(cc(c1)Br)OCC)O)/C=N/c1c(cccc1)OC
• Title of publication: Synthesis, crystal structure and computational studies of a new Schiff base compound: (<i>E</i>)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol
• Authors of publication: Özek Yıldırım, Arzu; Gülsu, Murat; Albayrak Kaştaş, Çiğdem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 319 - 322
• a: 15.3405 ± 0.0008 Å
• b: 6.5204 ± 0.0002 Å
• c: 15.3612 ± 0.001 Å
• α: 90°
• β: 98.716 ± 0.005°
• γ: 90°
• Cell volume: 1518.78 ± 0.14 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: 0.0589
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes