Information card for entry 2231631

Structure parameters

• Common name: 4,4'-Dibromo-2,2'-[octane-1,8-diylbis(nitrilomethanylylidene)]diphenol
• Chemical name: 4-bromo-2-[({8-[(5-hydroxy-2- methylphenyl)methylideneamino]octyl}imino)methyl]phenol
• Formula: C22 H26 Br2 N2 O2
• Calculated formula: C22 H26 Br2 N2 O2
• SMILES: Oc1ccc(cc1/C=N/CCCCCCCC/N=C/c1cc(Br)ccc1O)Br
• Title of publication: 4,4'-Dibromo-2,2'-[octane-1,8-diylbis(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: o2257
• a: 8.253 ± 0.003 Å
• b: 8.363 ± 0.003 Å
• c: 9.571 ± 0.003 Å
• α: 64.431 ± 0.006°
• β: 65.839 ± 0.007°
• γ: 87.403 ± 0.007°
• Cell volume: 536.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes