Information card for entry 2023414

Structure parameters

• Chemical name: 4-(4-<i>tert</i>-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
• Formula: C21 H23 F2 N O2
• Calculated formula: C21 H23 F2 N O2
• Title of publication: Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole.
• Authors of publication: Sowbhagya, Chaluvarangaiah; Mohan Kumar, Thaluru M.; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 239 - 242
• a: 10.2254 ± 0.0002 Å
• b: 12.2767 ± 0.0003 Å
• c: 14.7404 ± 0.0003 Å
• α: 90°
• β: 93.726 ± 0.001°
• γ: 90°
• Cell volume: 1846.51 ± 0.07 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No