Information card for entry 2208609

Structure parameters

• Chemical name: 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine
• Formula: C7 H8 N4
• Calculated formula: C7 H8 N4
• SMILES: c1(cc(C)n2c(n1)ncn2)C
• Title of publication: 5,7-Dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1310 - o1311
• a: 7.0872 ± 0.0008 Å
• b: 12.8239 ± 0.0013 Å
• c: 16.527 ± 0.002 Å
• α: 90°
• β: 90.303 ± 0.009°
• γ: 90°
• Cell volume: 1502 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0951
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No