Information card for entry 7135795

Structure parameters

• Formula: C19 H16 F2 N2 O2
• Calculated formula: C19 H16 F2 N2 O2
• Title of publication: [3+3] Annulation of Vinyl Sulfoxonium Ylides and Difluoroacetohydrazonoyl Bromides for Synthesis of 3-Difluoromethyl 1,6-Dihydropyridazine Derivatives
• Authors of publication: Li, Jingli; Chen, Maizhuo; Li, Ping; Yang, Tianyu; Wang, Junjiao; Huang, Danfeng; Zhang, Bo-Sheng; Wang, Ke-Hu; Hu, Yulai
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.0908 ± 0.0003 Å
• b: 9.539 ± 0.0004 Å
• c: 9.962 ± 0.0003 Å
• α: 91.586 ± 0.003°
• β: 100.371 ± 0.003°
• γ: 96.622 ± 0.003°
• Cell volume: 843.06 ± 0.05 ų
• Cell temperature: 301.54 ± 0.1 K
• Ambient diffraction temperature: 301.54 ± 0.1 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: 0.0853
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No