Information card for entry 2205915

Structure parameters

• Chemical name: 3,6-Dipropyl-N,N'-di-o-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
• Formula: C24 H30 N6 O2
• Calculated formula: C24 H30 N6 O2
• SMILES: CCCc1nn(C(=O)Nc2ccccc2C)c(nn1C(=O)Nc1ccccc1C)CCC
• Title of publication: 3,6-Dipropyl-<i>N,N</i>'-di-<i>o</i>-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
• Authors of publication: Luping Lv; Guan-Xiang Zhong; Wei-Xiao Hu; Wei Zhou; Hai-Bo Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1622 - o1623
• a: 24.083 ± 0.003 Å
• b: 7.784 ± 0.003 Å
• c: 24.461 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.01°
• γ: 90°
• Cell volume: 4585 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes