Information card for entry 2230338

Structure parameters

• Chemical name: 4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol
• Formula: C18 H22 Br2 N2 O2
• Calculated formula: C18 H22 Br2 N2 O2
• SMILES: CN(Cc1cc(Br)ccc1O)CCN(Cc1cc(Br)ccc1O)C
• Title of publication: 4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol
• Authors of publication: Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1391
• a: 15.9282 ± 0.0003 Å
• b: 6.1123 ± 0.0002 Å
• c: 18.3315 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.72 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes