Information card for entry 2218337

Structure parameters

• Chemical name: 4-Amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole
• Formula: C4 H8 N4
• Calculated formula: C4 H8 N4
• SMILES: n1(N)c(nnc1C)C
• Title of publication: 4-Amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole
• Authors of publication: Li, Daojin; Wei, Guo-Chang; Song, Shu-Zhi; Wang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1144
• a: 5.8423 ± 0.0012 Å
• b: 7.754 ± 0.0016 Å
• c: 12.846 ± 0.003 Å
• α: 90°
• β: 96.91 ± 0.03°
• γ: 90°
• Cell volume: 577.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes