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Updated: May 13, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
5-Meth-oxy-2-benzofuran-1(3H)-one
Drielly A Paixão1, Silvana Guilardi, Jorge L Pereira
1Instituto de Química-UFU, Uberlândia, MG, Brazil.
Summary
The crystal structure of C9H8O3 reveals an almost planar molecular skeleton. Molecules form a 2D network via weak hydrogen bonds in the crystal lattice.
Area of Science:
- Crystallography
- Molecular structure determination
Background:
- Understanding molecular arrangements in crystals is key to predicting material properties.
- The title compound, C9H8O3, was synthesized and its solid-state structure investigated.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C9H8O3.
- To analyze the intermolecular interactions and packing in the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The molecular skeleton of C9H8O3 was found to be nearly planar, with a root-mean-square deviation of 0.010(2) Å.
- Weak C-H⋯O hydrogen bonds were identified as the primary intermolecular forces.
- These interactions organize the molecules into a two-dimensional network parallel to the ac plane.
Conclusions:
- The crystal structure provides fundamental insights into the solid-state behavior of C9H8O3.
- The observed hydrogen bonding network influences the compound's packing and potential properties.
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