Information card for entry 2209856

Structure parameters

• Common name: 1,2-Bis(5-Bromo-salicylideneaminooxy)ethane
• Chemical name: 4,4-Dibromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol
• Formula: C16 H14 Br2 N2 O4
• Calculated formula: C16 H14 Br2 N2 O4
• SMILES: Oc1ccc(cc1/C=N/OCCO/N=C/c1cc(Br)ccc1O)Br
• Title of publication: 4,4'-Dibromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol
• Authors of publication: Wen-Kui Dong; Jian-Hua Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3577 - o3578
• a: 19.249 ± 0.003 Å
• b: 5.7607 ± 0.0008 Å
• c: 7.62 ± 0.001 Å
• α: 90°
• β: 96.312 ± 0.002°
• γ: 90°
• Cell volume: 839.8 ± 0.2 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: 0.0381
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes