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August 5, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

Crystal structure of 3-(3,5-bis(trifluoromethyl)benzyl)-2-methyl-6-phenylpyrimidin-4(3 H )-one, C ₂₀ H ₁₄ F ₆ N ₂ O

Yang-Yang Zhou Shuo Du

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Key Points

This research aims to elucidate the crystal structure of a specific pyrimidine-derived compound.
Measured crystal structure using X-ray diffraction.
Characterized crystallographic parameters: a=11.8144(13) Å, b=12.4263(13) Å, c=12.3164(13) Å, β=98.540(4)°.
Determined metrics: volume (V=1788.1(3) Å³), and Z=4.
Determined the monoclinic symmetry (P21/c) of the crystal.
Calculated R(F) value of 0.0456, indicating good fit for the structure.
Established a refined structure with wRref(F²) value of 0.1290.

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Implication

X-ray diffraction reveals the crystal structure of a novel pyrimidine compound, indicating its potential applications.

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Cite This Study

Zhou et al. (2026) studied this question.

synapsesocial.com/papers/6a758c1b847ab6d26c01fe59 https://doi.org/10.1515/ncrs-2026-0322

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