Information card for entry 7063274

Structure parameters

• Chemical name: '1-benzyl-5-((3,5-dichlorophenyl)thio)-3,4-dihydropyridin-2(1H)-one'
• Formula: C18 H15 Cl2 N O S
• Calculated formula: C18 H15 Cl2 N O S
• Title of publication: I2 or I2/PIFA one-pot induced system for rapid synthesis of chalcogenated enamides, uracils or 2-pyridones under mild conditions
• Authors of publication: Sanaa, Hamdi; Dondasse, Ismaël; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12793 - 12799
• a: 15.1843 ± 0.0011 Å
• b: 11.2815 ± 0.0003 Å
• c: 10.2878 ± 0.0002 Å
• α: 90°
• β: 99.401 ± 0.007°
• γ: 90°
• Cell volume: 1738.65 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0237
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No