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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
3-(3-Fluoro-benz-yl)isochroman-1-one
Summary
This study details the molecular structure of C(16)H(13)FO(2), revealing a twisted heterocyclic ring and a specific dihedral angle between aromatic rings. Weak intermolecular interactions were observed in its crystal structure.
Area of Science:
- Crystallography
- Molecular Chemistry
- Organic Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The specific compound C(16)H(13)FO(2) has not been extensively studied in terms of its solid-state structure.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C(16)H(13)FO(2).
- To identify and analyze intermolecular interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, dihedral angles, and intermolecular contacts was performed.
Main Results:
- The molecule C(16)H(13)FO(2) exhibits a dihedral angle of 74.46(4)° between its aromatic rings.
- The heterocyclic ring was found to adopt a twisted conformation.
- A weak C-H⋯π intermolecular interaction was identified in the crystal structure.
Conclusions:
- The detailed structural analysis provides fundamental insights into the solid-state behavior of C(16)H(13)FO(2).
- The observed conformation and intermolecular interactions can inform future studies on the compound's physical and chemical properties.
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