Information card for entry 4515057

Structure parameters

• Formula: C21 H20 N4 O5
• Calculated formula: C21 H20 N4 O5
• SMILES: O=C(OCC)c1nn2c(c1C(=O)OCC)cc(c(c2N)C#N)c1ccc(OC)cc1
• Title of publication: Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.
• Authors of publication: Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 7182 - 7193
• a: 11.251 ± 0.002 Å
• b: 10.0262 ± 0.0018 Å
• c: 17.905 ± 0.004 Å
• α: 90°
• β: 90.013 ± 0.007°
• γ: 90°
• Cell volume: 2019.8 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No