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August 27, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of ethyl 5-chloro-2-hydroxy-2-(trifluoromethyl)-2 H -chromene-3-carboxylate, C 13 H 10 ClF 3 O 4

Xindang Bo Kailou Zhao Yungeng Li Jiale Cheng Ruotong Su Bingru Wu Jingshuang Yuan Qiaozhi Hou

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Key Points

Determine the single-crystal structure and unit cell parameters of the synthesized chromene derivative C13H10ClF3O4.
Single-crystal X-ray diffraction data collection was carried out at a temperature of 293 K.
Structural refinement was executed to resolve atomic positions and lattice parameters.
The compound crystallized in the triclinic crystal system within space group P1̅ (no. 2) with Z = 2 and unit cell volume V = 679.19(7) Å³.
Lattice dimensions were determined as a = 7.8071(4) Å, b = 8.9348(5) Å, c = 11.4564(5) Å, α = 89.606(4)°, β = 71.158(4)°, and γ = 65.258(5)°.
Refinement converged with final discrepancy indices of R_gt(F) = 0.0366 and wR_ref(F²) = 0.1058.

Implication

Crystallographic analysis reveals the solid-state structure of a fluorinated chromene derivative, highlighting its triclinic lattice geometry.

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Cite This Study

Bo et al. (2026) studied this question.

synapsesocial.com/papers/6a9299db8e5d7d1fc0c12174 https://doi.org/10.1515/ncrs-2026-0221

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