Information card for entry 2230875

Structure parameters

• Chemical name: 6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one
• Formula: C11 H12 N2 O
• Calculated formula: C11 H12 N2 O
• SMILES: c1ccccc1N1C(=O)CCC(=N1)C
• Title of publication: 6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one
• Authors of publication: Sekkak, Hanan; Rakib, El Mostapha; Zouihri, Hafid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1709
• a: 6.4151 ± 0.0002 Å
• b: 7.901 ± 0.0002 Å
• c: 10.1888 ± 0.0003 Å
• α: 90°
• β: 106.607 ± 0.001°
• γ: 90°
• Cell volume: 494.89 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes