Information card for entry 2220442

Structure parameters

• Chemical name: 3-Pyridin-2-yl-1<i>H</i>-1,2,4-triazol-5-amine
• Formula: C7 H7 N5
• Calculated formula: C7 H7 N5
• SMILES: n1[nH]c(nc1c1ncccc1)N
• Title of publication: 3-Pyridin-2-yl-1<i>H</i>-1,2,4-triazol-5-amine
• Authors of publication: Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o125
• a: 7.3863 ± 0.0006 Å
• b: 7.9096 ± 0.0006 Å
• c: 13.2157 ± 0.0011 Å
• α: 90°
• β: 91.832 ± 0.002°
• γ: 90°
• Cell volume: 771.7 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes