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April 28, 2026Zeitschrift für Kristallographie - New Crystal Structures0 citationsOpen Access

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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CLChao‐Jiu LongSouthwest University

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.

Abstract

Abstract C 12 H 14 F 5 N 3 O 3 S, monoclinic, C 2/ c (no. 15), a = 22.2637(5) Å, b = 10.1760(3) Å, c = 16.5436(4) Å, β = 119.9810(10)°, V = 3246.52(15) Å 3 , Z = 8, R gt ( F ) = 0.0521, w R ref ( F 2 ) = 0.1382, T = 100 K.

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Cite This Study

Chao‐Jiu Long (2026) studied this question.

synapsesocial.com/papers/69f04e9b727298f751e72922https://doi.org/10.1515/ncrs-2026-0035
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