Information card for entry 2235593

Structure parameters

• Chemical name: 2-Methyl-3-(1<i>H</i>-pyrazol-3-yl)imidazo[1,2-<i>a</i>]pyrimidine
• Formula: C10 H9 N5
• Calculated formula: C10 H9 N5
• SMILES: n12c(c3n[nH]cc3)c(nc1nccc2)C
• Title of publication: 2-Methyl-3-(1<i>H</i>-pyrazol-3-yl)imidazo[1,2-<i>a</i>]pyrimidine
• Authors of publication: Gao, Guo-Rui; Duan, Wen-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o1977
• a: 8.962 ± 0.002 Å
• b: 8.851 ± 0.002 Å
• c: 12.481 ± 0.003 Å
• α: 90°
• β: 101.751 ± 0.003°
• γ: 90°
• Cell volume: 969.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes