Information card for entry 2243066

Structure parameters

• Chemical name: 4-(4-Methylbenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one
• Formula: C18 H16 N2 O
• Calculated formula: C18 H16 N2 O
• SMILES: O=c1[nH]nc(c2ccccc2)cc1Cc1ccc(cc1)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one
• Authors of publication: Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Karrouchi, Khalid; Benchat, Noureddine; Baydere, Cemile; Dege, Necmi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1352 - 1356
• a: 5.8479 ± 0.0005 Å
• b: 8.5738 ± 0.0007 Å
• c: 15.2439 ± 0.0012 Å
• α: 80.693 ± 0.006°
• β: 83.147 ± 0.007°
• γ: 78.164 ± 0.007°
• Cell volume: 735.27 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes