Information card for entry 2219486

Structure parameters

• Common name: 5,5'-Dibromo-2,2'-[1,1'-(2,2'-dimethyl-propane-1,3-diyldinitrilo)methylidyne] diphenol
• Chemical name: <i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-2,2-dimethylpropane- 1,3-diamine
• Formula: C19 H20 Br2 N2 O2
• Calculated formula: C19 H20 Br2 N2 O2
• SMILES: Brc1ccc(O)c(c1)/C=N/CC(C/N=C/c1cc(Br)ccc1O)(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1895 - o1896
• a: 31.7684 ± 0.001 Å
• b: 6.2436 ± 0.0002 Å
• c: 38.7287 ± 0.0011 Å
• α: 90°
• β: 99.87 ± 0.002°
• γ: 90°
• Cell volume: 7568.1 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes