Information card for entry 7160580

Structure parameters

• Formula: C15 H16 N4 O
• Calculated formula: C15 H16 N4 O
• Title of publication: Ketenes as dienophiles in aza-Diels-Alder reactions with dicyanohydrazones for accessing pyridazin-3(2<i>H</i>)-ones.
• Authors of publication: Zhu, Chen; Zhang, Jing; Yang, Jiaxin; Li, Xinxin; Wang, Xinyu; Shi, Hu; Jin, Hui; Zhang, Lixin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6220 - 6224
• a: 11.6652 ± 0.0012 Å
• b: 11.4053 ± 0.0012 Å
• c: 22.148 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2946.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No