The crystal structure of ( E )-3-(4-hydroxy-3-methoxyphenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8 H )-yl)prop-2-en-1-one, monohydrate

Wubiao Zhu; Yuhan Xiao; Jia‐Lei Yan; Lengfeng Chen

doi:10.1515/ncrs-2026-0138

June 29, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of ( E )-3-(4-hydroxy-3-methoxyphenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8 H )-yl)prop-2-en-1-one, monohydrate

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Key Points

This work aims to elucidate the crystal structure of a novel organic compound.
Utilized single crystal X-ray diffraction for structural analysis.
Analyzed trigonal crystal system with specific lattice parameters.
Performed measurements at a controlled temperature of 120 K.
Established the compound's crystal system as trigonal with R3̅ symmetry.
Documented lattice parameters: a = 34.7194(3) Å, c = 7.32220(7) Å.
Calculated volume of the cell as V = 7919.5(2) Å³ with Z = 18.

Implication

Reports the crystal structure of a novel compound in crystallography, indicating its potential applications in medicinal chemistry.

Abstract

C 16 H 17 F 3 N 4 O 4 , trigonal, R 3̅ (no. 148), a = 34.7194(3) Å, c = 7.32220(7) Å, V = 7919.5(2) Å 3 , Z = 18, R gt ( F ) = 0.0549, wR ref ( F 2 ) = 0.1378, T = 120 K.

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Cite This Study

Zhu et al. (2026) studied this question.

synapsesocial.com/papers/6a44b0085cd2549c8bc44cbf https://doi.org/10.1515/ncrs-2026-0138

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The crystal structure of ( E )-3-(4-hydroxy-3-methoxyphenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8 H )-yl)prop-2-en-1-one, monohydrate

Key Points

Implication

Abstract

Discussion

Cite This Study

The crystal structure of ( E )-3-(4-hydroxy-3-methoxyphenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8 H )-yl)prop-2-en-1-one, monohydrate

Key Points

Implication

Abstract

Discussion

Cite This Study

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