Information card for entry 2243699

Structure parameters

• Common name: (<i>E</i>)-4-(2,6-Dichlorobenzyl)-6-styrylpyridazin-3(2<i>H</i>)-one
• Chemical name: 4-(2,6-Dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one
• Formula: C19 H14 Cl2 N2 O
• Calculated formula: C19 H14 Cl2 N2 O
• SMILES: Clc1c(Cc2c(=O)[nH]nc(c2)/C=C/c2ccccc2)c(Cl)ccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one
• Authors of publication: Daoui, Said; Cinar, Emine Berrin; Dege, Necmi; Chelfi, Tarik; El Kalai, Fouad; Abudunia, Abdulmalik; Karrouchi, Khalid; Benchat, Noureddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 23 - 27
• a: 10.1306 ± 0.0005 Å
• b: 10.7019 ± 0.0006 Å
• c: 15.7749 ± 0.0007 Å
• α: 90°
• β: 97.715 ± 0.004°
• γ: 90°
• Cell volume: 1694.78 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes