Information card for entry 2216340

Structure parameters

• Chemical name: (E)-4-Bromo-2-[2-(hydroxymethyl)phenyliminomethyl]phenol
• Formula: C14 H12 Br N O2
• Calculated formula: C14 H12 Br N O2
• SMILES: c1(c(ccc(c1)Br)O)/C=N/c1ccccc1CO
• Title of publication: (<i>E</i>)-4-Bromo-2-[2-(hydroxymethyl)phenyliminomethyl]phenol
• Authors of publication: Yavuz Köysal; Şamil Işık; Ayşen Aǧar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4916 - o4916
• a: 6.4356 ± 0.0013 Å
• b: 4.6361 ± 0.0005 Å
• c: 42.693 ± 0.008 Å
• α: 90°
• β: 96.904 ± 0.016°
• γ: 90°
• Cell volume: 1264.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1477
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes