Information card for entry 7158647

Structure parameters

• Common name: 3-sulfonyl-pyrazolo[1,5-a]pyridines
• Chemical name: 2-Phenyl-3-tosylpyrazolo[1,5-a]pyridine
• Formula: C20 H16 N2 O2 S
• Calculated formula: C20 H16 N2 O2 S
• SMILES: c1cccc2c(c(c3ccccc3)nn12)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Base-mediated [3 + 2]-cycloannulation strategy for the synthesis of pyrazolo[1,5-a]pyridine derivatives using (E)-β-iodovinyl sulfones
• Authors of publication: Jannapu Reddy, Raju; Sharadha, Nunavath; Haritha Kumari, Arram
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.6434 ± 0.0013 Å
• b: 12.8669 ± 0.0018 Å
• c: 15.514 ± 0.003 Å
• α: 90°
• β: 99.534 ± 0.008°
• γ: 90°
• Cell volume: 1701.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No