Information card for entry 2223350

Structure parameters

• Chemical name: Ethyl 6-methyl-2-<i>p</i>-tolylpyrazolo[1,5-<i>a</i>]pyridine-5-carboxylate
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: n12nc(c3ccc(C)cc3)cc1cc(c(c2)C)C(=O)OCC
• Title of publication: Ethyl 6-methyl-2-<i>p</i>-tolylpyrazolo[1,5-<i>a</i>]pyridine-5-carboxylate
• Authors of publication: Jia, Jiong; Ge, Yan-qing; Zhao, Gui-long; Wang, Jian-wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2372
• a: 6.8352 ± 0.0003 Å
• b: 30.3999 ± 0.0011 Å
• c: 7.5409 ± 0.0003 Å
• α: 90°
• β: 97.375 ± 0.002°
• γ: 90°
• Cell volume: 1553.96 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes