Information card for entry 2218596

Structure parameters

• Common name: <i>N,N'</i>-Bis(4-cyanobenzylidene)-2,2'-dimethyl-propane-1,3-diamine
• Chemical name: 4,4'-[2,2-Dimethylpropane-1,3-diylbis(nitrilomethylidyne)]dibenzonitrile
• Formula: C21 H20 N4
• Calculated formula: C21 H20 N4
• SMILES: N(=C\c1ccc(cc1)C#N)/CC(C/N=C/c1ccc(cc1)C#N)(C)C
• Title of publication: 4,4'-[2,2-Dimethylpropane-1,3-diylbis(nitrilomethylidyne)]dibenzonitrile
• 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: 7
• Pages of publication: o1308
• a: 6.3833 ± 0.0002 Å
• b: 34.0679 ± 0.0008 Å
• c: 8.519 ± 0.0002 Å
• α: 90°
• β: 100.654 ± 0.002°
• γ: 90°
• Cell volume: 1820.65 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes