Information card for entry 2216056

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-2-(2-methoxyphenyliminomethyl)phenol
• Formula: C14 H12 Br N O2
• Calculated formula: C14 H12 Br N O2
• SMILES: Brc1cc(c(O)cc1)/C=N/c1ccccc1OC
• Title of publication: (<i>E</i>)-4-Bromo-2-(2-methoxyphenyliminomethyl)phenol
• Authors of publication: Gül, Zarife Sibel; Erşahin, Ferda; Ağar, Erbil; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4241 - o4241
• a: 32.926 ± 0.003 Å
• b: 4.5564 ± 0.0002 Å
• c: 17.7214 ± 0.0016 Å
• α: 90°
• β: 108.465 ± 0.007°
• γ: 90°
• Cell volume: 2521.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes