Information card for entry 2015842

Structure parameters

• Chemical name: (E)-2-[(3-bromophenyl)iminomethyl]-4-methoxyphenol
• Formula: C14 H12 Br N O2
• Calculated formula: C14 H12 Br N O2
• SMILES: c1(cc(ccc1O)OC)/C=N/c1cc(ccc1)Br
• Title of publication: Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols
• Authors of publication: Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o177 - o180
• a: 12.6852 ± 0.0019 Å
• b: 4.5157 ± 0.0004 Å
• c: 12.1383 ± 0.0018 Å
• α: 90°
• β: 113.915 ± 0.011°
• γ: 90°
• Cell volume: 635.62 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes