Information card for entry 7160289

Structure parameters

• Chemical name: 6,7-Di(4-methoxyphenyl)-1,3-dimethyl-1H-perimidin-2(3H)-one
• Formula: C27 H24 N2 O3
• Calculated formula: C27 H24 N2 O3
• Title of publication: 6-Aryl- and 6,7-diaryl-1,3-dimethyl-1<i>H</i>-perimidin-2(3<i>H</i>)-ones: synthesis, conformational stability, crystal structure and optical properties.
• Authors of publication: Dyatlov, Andrey L.; Filatova, Ekaterina A.; Pozharskii, Alexander F.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Medvedev, Michael G.; Bekmansurov, Danis R.; Morozov, Pavel G.; Gulevskaya, Anna V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 948 - 959
• a: 8.3208 ± 0.0001 Å
• b: 28.4887 ± 0.0004 Å
• c: 9.4015 ± 0.0001 Å
• α: 90°
• β: 116.109 ± 0.002°
• γ: 90°
• Cell volume: 2001.2 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No