Information card for entry 4515056

Structure parameters

• Common name: GH9_260813
• Formula: C19 H19 N5 O5 S
• Calculated formula: C19 H19 N5 O5 S
• 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: 11.135 ± 0.002 Å
• b: 8.106 ± 0.0014 Å
• c: 22.476 ± 0.004 Å
• α: 90°
• β: 97.338 ± 0.009°
• γ: 90°
• Cell volume: 2012.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1443
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No