Information card for entry 7248376

Structure parameters

• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• SMILES: O(c1c(c2nn(c(c2)c2ccc(C)cc2)c2ccc(cc2)C)cccc1)CCC
• Title of publication: Novel pyrazole and imidazolone compounds: synthesis, X-ray crystal structure with theoretical investigation of new pyrazole and imidazolone compounds anticipated insecticide’s activities against targeting Plodia interpunctella and nilaparvata lugens
• Authors of publication: Shalaby, Mona A.; BinSabt, Mohammad H.; Rizk, Sameh A.; Fahim, Asmaa M.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 10464 - 10480
• a: 6.7814 ± 0.0004 Å
• b: 10.688 ± 0.0007 Å
• c: 29.8384 ± 0.0018 Å
• α: 90°
• β: 94.276 ± 0.003°
• γ: 90°
• Cell volume: 2156.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No