Information card for entry 2201058

Structure parameters

• Chemical name: N,N'-Bis[1-(4-pyridyl)ethylidene]-p-phenylenediamine
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: CC(=N\c1ccc(cc1)/N=C(/c1ccncc1)C)/c1ccncc1
• Title of publication: <i>N,N</i>'-Bis[1-(4-pyridyl)ethylidene]-<i>p</i>-phenylenediamine
• Authors of publication: Goutam Kumar Patra; Israel Goldberg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o528 - o529
• a: 5.89 ± 0.0003 Å
• b: 8.069 ± 0.0003 Å
• c: 8.848 ± 0.0005 Å
• α: 94.767 ± 0.0018°
• β: 92.052 ± 0.0018°
• γ: 104.157 ± 0.0017°
• Cell volume: 405.65 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0769
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes