Information card for entry 2219690

Structure parameters

• Common name: <i>N,N'</i>-Bis[4-bromobenzylidene]-butane-1,4-diamine
• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)butane-1,4-diamine
• Formula: C18 H18 Br2 N2
• Calculated formula: C18 H18 Br2 N2
• SMILES: Brc1ccc(cc1)/C=N/CCCC/N=C/c1ccc(cc1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)butane-1,4-diamine
• Authors of publication: Fun, Hoong-Kun; Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1894
• a: 11.2612 ± 0.0005 Å
• b: 9.5213 ± 0.0004 Å
• c: 8.2645 ± 0.0004 Å
• α: 90°
• β: 100.04 ± 0.003°
• γ: 90°
• Cell volume: 872.56 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes