Information card for entry 2212530

Structure parameters

• Chemical name: (E)-3-[(2-Bromophenyl)iminomethyl]benzene-1,2-diol
• Formula: C13 H10 Br N O2
• Calculated formula: C13 H10 Br N O2
• SMILES: c1(c(c(ccc1)O)O)/C=N/c1ccccc1Br
• Title of publication: (<i>E</i>)-3-[(2-Bromophenyl)iminomethyl]benzene-1,2-diol
• Authors of publication: Temel, Ersin; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1319 - o1320
• a: 7.2118 ± 0.0006 Å
• b: 7.8271 ± 0.0008 Å
• c: 20.9993 ± 0.0015 Å
• α: 90°
• β: 107.283 ± 0.006°
• γ: 90°
• Cell volume: 1131.84 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes