Information card for entry 7160636

Structure parameters

• Formula: C23 H18 N2 O2 S
• Calculated formula: C23 H18 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: 9.3268 ± 0.0005 Å
• b: 15.1541 ± 0.0006 Å
• c: 14.1675 ± 0.0007 Å
• α: 90°
• β: 108.462 ± 0.006°
• γ: 90°
• Cell volume: 1899.37 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No