Crystal structure of 3-(((5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1 H -pyrazol-4-yl)methyl)sulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole, C ₁₂ H ₁₄ F ₅ N ₃ O ₃ S

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Key Points

The aim is to elucidate the crystal structure of a new isoxazole compound for better understanding of its molecular characteristics.
X-ray diffraction was employed to determine the crystal structure.
Structural parameters such as cell dimensions and angles were carefully measured.
Refinement processes were performed to achieve accurate model representation.
The compound exhibits a monoclinic crystal system with specific cell dimensions (a = 22.2637 Å, b = 10.1760 Å, c = 16.5436 Å).
The experimental value of R gt (F) was found to be 0.0521, indicating good refinement quality.
A total volume of 3246.52 Å^3 was calculated with Z = 8, reflecting the molecular packing.

Crystal structure demonstrates monoclinic properties in a novel isoxazole compound, indicating unique molecular traits.

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Chao‐Jiu Long (2026) studied this question.

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