Information card for entry 1567082

Structure parameters

• Chemical name: Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate
• Formula: C17 H20 N2 O4
• Calculated formula: C17 H20 N2 O4
• Title of publication: Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate
• Authors of publication: Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 6
• a: 23.0488 ± 0.0009 Å
• b: 8.1149 ± 0.0003 Å
• c: 18.3223 ± 0.0007 Å
• α: 90°
• β: 104.454 ± 0.001°
• γ: 90°
• Cell volume: 3318.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes