Information card for entry 4515055

Structure parameters

• Formula: C20 H17 Cl N4 O4
• Calculated formula: C20 H17 Cl N4 O4
• SMILES: Clc1ccc(cc1)c1cc2n(nc(c2C(=O)OCC)C(=O)OCC)c(N)c1C#N
• 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: 7.1549 ± 0.0012 Å
• b: 15.769 ± 0.003 Å
• c: 19.04 ± 0.004 Å
• α: 66.725 ± 0.005°
• β: 83.623 ± 0.006°
• γ: 82.812 ± 0.006°
• Cell volume: 1953.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No