Information card for entry 2218506

Structure parameters

• Chemical name: 4-[4-(Diethylamino)benzylideneamino]-4<i>H</i>-1,2,4-triazole
• Formula: C13 H17 N5
• Calculated formula: C13 H17 N5
• SMILES: c1nncn1/N=C/c1ccc(cc1)N(CC)CC
• Title of publication: 4-[4-(Diethylamino)benzylideneamino]-4<i>H</i>-1,2,4-triazole
• Authors of publication: Pan, Jian Xin; Zhang, Ju Zhou; Chen, Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o980
• a: 7.74 ± 0.003 Å
• b: 9.238 ± 0.004 Å
• c: 18.497 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes