Information card for entry 7135796

Structure parameters

• Formula: C18 H14 F2 N2 O2
• Calculated formula: C18 H14 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: 6.0296 ± 0.0002 Å
• b: 9.1187 ± 0.0004 Å
• c: 28.9024 ± 0.0015 Å
• α: 90°
• β: 92.846 ± 0.004°
• γ: 90°
• Cell volume: 1587.16 ± 0.12 ų
• Cell temperature: 301.62 ± 0.1 K
• Ambient diffraction temperature: 301.62 ± 0.1 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: 0.1166
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No