Information card for entry 2231562

Structure parameters

• Common name: 4,4'-Dibromo-2,2'-[1,3-phenylenebis(nitrilomethanylylidene)]diphenol
• Chemical name: 4-bromo-2-(N-{3-[(4-bromo-2- hydroxyphenyl)methylideneamino]phenyl}carboximidoyl)phenol
• Formula: C20 H14 Br2 N2 O2
• Calculated formula: C20 H14 Br2 N2 O2
• SMILES: Oc1ccc(cc1/C=N/c1cccc(c1)/N=C/c1cc(Br)ccc1O)Br
• Title of publication: 4,4'-Dibromo-2,2'-[<i>m</i>-phenylenebis(nitrilomethanylylidene)]diphenol
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2234
• a: 12.326 ± 0.002 Å
• b: 37.226 ± 0.006 Å
• c: 3.8726 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes