Information card for entry 2243155

Structure parameters

• Chemical name: Methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydro-pyridazin-1-yl]acetate
• Formula: C20 H16 Cl2 N2 O3
• Calculated formula: C20 H16 Cl2 N2 O3
• Title of publication: Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate
• Authors of publication: Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1679 - 1684
• a: 11.273 ± 0.0013 Å
• b: 12.3808 ± 0.0009 Å
• c: 14.1405 ± 0.0015 Å
• α: 90°
• β: 92.801 ± 0.009°
• γ: 90°
• Cell volume: 1971.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2036
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes