Information card for entry 2223728

Structure parameters

• Chemical name: <i>N</i>-(1<i>H</i>-1,2,4-Triazol-5-yl)pyridine-2-carboxamide
• Formula: C8 H7 N5 O
• Calculated formula: C8 H7 N5 O
• SMILES: n1c(C(=O)Nc2[nH]ncn2)cccc1
• Title of publication: <i>N</i>-(1<i>H</i>-1,2,4-Triazol-5-yl)pyridine-2-carboxamide
• Authors of publication: Miao, Jing; Jia, Maomao; Liu, Xianlin; Xiong, Wei; Chen, Zilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2738
• a: 8.6906 ± 0.0017 Å
• b: 5.2854 ± 0.001 Å
• c: 17.88 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.003°
• γ: 90°
• Cell volume: 821.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes