Information card for entry 2227364

Structure parameters

• Chemical name: <i>N</i>'-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]propanohydrazide
• Formula: C10 H14 N8 O
• Calculated formula: C10 H14 N8 O
• SMILES: O=C(NNc1nnc(nn1)n1nc(cc1C)C)CC
• Title of publication: <i>N</i>'-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]propanohydrazide
• Authors of publication: Yan, Qi-dong; Xu, Feng; Xu, Jun; Chen, Jian-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2914
• a: 10.896 ± 0.003 Å
• b: 8.0354 ± 0.0018 Å
• c: 14.805 ± 0.003 Å
• α: 90°
• β: 101.243 ± 0.003°
• γ: 90°
• Cell volume: 1271.4 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes