Information card for entry 2238010

Structure parameters

• Chemical name: Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate
• Formula: C16 H15 N3 O2
• Calculated formula: C16 H15 N3 O2
• SMILES: CCOC(=O)c1cc(C)n2c(n1)cc(n2)c1ccccc1
• Title of publication: Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate
• Authors of publication: Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o740
• a: 8.0542 ± 0.0008 Å
• b: 16.4104 ± 0.0019 Å
• c: 21.635 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2859.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes