Information card for entry 2213900

Structure parameters

• Chemical name: N,N'-Bis[(2-phenyl-2H-1,2,3-triazol-4-yl)methylidene]benzene-1,4-diamine
• Formula: C24 H18 N8
• Calculated formula: C24 H18 N8
• SMILES: c1ccc(cc1)n1ncc(n1)/C=N/c1ccc(cc1)/N=C/c1cnn(n1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methylidene]benzene-1,4-diamine
• Authors of publication: Jun Hu; Zheng-Feng Xie; Fang-Ming Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2934 - o2934
• a: 17.67 ± 0.004 Å
• b: 4.8 ± 0.001 Å
• c: 11.751 ± 0.002 Å
• α: 90°
• β: 94.42 ± 0.03°
• γ: 90°
• Cell volume: 993.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes