Information card for entry 2221242

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Bis(4-cyanobenzylidene)ethane-1,2-diamine
• Chemical name: 4,4'-[Ethylenebis(nitrilomethylidyne)]dibenzonitrile
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: N#Cc1ccc(cc1)/C=N/CC/N=C/c1ccc(cc1)C#N
• Title of publication: 4,4'-[Ethylenebis(nitrilomethylidyne)]dibenzonitrile
• Authors of publication: Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o682 - o683
• a: 4.6843 ± 0.0002 Å
• b: 6.9872 ± 0.0003 Å
• c: 11.6208 ± 0.0005 Å
• α: 78.147 ± 0.003°
• β: 87.462 ± 0.003°
• γ: 74.081 ± 0.002°
• Cell volume: 357.94 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes