Information card for entry 2235575

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: CC(=N\c1ccc(cc1)/N=C(/c1ccccn1)C)/c1ccccn1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine
• Authors of publication: Zhou, Wei; Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2086
• a: 5.466 ± 0.0011 Å
• b: 6.851 ± 0.0014 Å
• c: 22.704 ± 0.005 Å
• α: 90°
• β: 90.45 ± 0.03°
• γ: 90°
• Cell volume: 850.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0839
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1546
• 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