Information card for entry 7160637

Structure parameters

• Formula: C28 H22 N2 O2 S
• Calculated formula: C28 H20 N2 O2 S
• Title of publication: One-pot synthesis of sulfonyl 3,6-diarylpyridazines <i>via</i> tandem condensation of α-sulfonyl ketones with methyl ketones.
• Authors of publication: Chang, Meng-Yang; Ou, Chen-Yo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 31
• Pages of publication: 7314 - 7319
• a: 9.3979 ± 0.0002 Å
• b: 11.3031 ± 0.0003 Å
• c: 12.3737 ± 0.0003 Å
• α: 114.887 ± 0.003°
• β: 109.317 ± 0.002°
• γ: 92.845 ± 0.002°
• Cell volume: 1097.5 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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 all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No