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Updated: Jun 1, 2026

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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
Methyl 3,5-bis-[(4-hydroxy-methyl-2-methoxy-phen-oxy)meth-yl]benzoate
Summary
This study details the crystal structure of a novel organic compound, C(26)H(28)O(8). Molecular analysis reveals specific dihedral angles between aromatic and vanillyl alcohol rings, with hydrogen bonds forming sheet-like crystal structures.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular interactions is crucial for designing new materials.
- The vanillyl alcohol moiety is a common structural feature in various natural products and synthetic compounds.
- Detailed structural analysis provides insights into intermolecular forces and crystal packing.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound, C(26)H(28)O(8).
- To investigate the conformational preferences of the aromatic and vanillyl alcohol rings within the crystal lattice.
- To characterize the hydrogen bonding network and its role in crystal assembly.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
- Identification and analysis of intermolecular interactions, specifically O-H⋯O hydrogen bonds.
Main Results:
- The crystal structure of C(26)H(28)O(8) was successfully determined.
- The central aromatic ring exhibited distinct dihedral angles (24.32(11)° and 80.19(7)°) with the two adjacent vanillyl alcohol rings.
- A network of O-H⋯O hydrogen bonds was observed, leading to the formation of sheet-like motifs in the ab plane.
Conclusions:
- The study provides a precise structural description of C(26)H(28)O(8).
- The observed dihedral angles highlight specific conformational characteristics of the molecule in the solid state.
- The hydrogen bonding pattern dictates the supramolecular architecture, influencing the material's properties.
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