Information card for entry 2221304

Structure parameters

• Chemical name: 2-[(4-Bromophenyl)iminomethyl]-3,5-dimethoxyphenol
• Formula: C15 H14 Br N O3
• Calculated formula: C15 H14 Br N O3
• SMILES: COc1cc(O)c(c(c1)OC)/C=N/c1ccc(cc1)Br
• Title of publication: 2-[(4-Bromophenyl)iminomethyl]-3,5-dimethoxyphenol
• Authors of publication: Kılıç, Işın; Ağar, Erbil; Erşahin, Ferda; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o934
• a: 8.2655 ± 0.0005 Å
• b: 9.7305 ± 0.0006 Å
• c: 18.3806 ± 0.0011 Å
• α: 97.177 ± 0.005°
• β: 92.796 ± 0.005°
• γ: 106.214 ± 0.005°
• Cell volume: 1402.94 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes