Information card for entry 2243967

Structure parameters

• Chemical name: 6-((<i>E</i>)-2-{4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one
• Formula: C20 H17 Cl N2 O3
• Calculated formula: C20 H17 Cl N2 O3
• SMILES: Clc1ccc(C(=O)COc2ccc(/C=C/C3=NNC(=O)CC3)cc2)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one
• Authors of publication: Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 8 - 11
• a: 7.3514 ± 0.0004 Å
• b: 11.5539 ± 0.0007 Å
• c: 41.397 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3516.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes