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Updated: May 20, 2026
04:51
Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
Published on: June 23, 2023
1-Benz-yloxy-1H-benzotriazole
Summary
This study details the crystal structure of a benzotriazole derivative. Molecular analysis reveals specific dihedral and torsion angles, along with intermolecular interactions like C-H⋯π and π-π stacking in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Benzotriazole derivatives are important in various chemical applications.
- Understanding the solid-state structure is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(11)N(3)O.
- To analyze the molecular conformation and intermolecular interactions in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond angles, dihedral angles, and intermolecular contacts was performed.
Main Results:
- The dihedral angle between the benzotriazole and benzene rings is 10.28(9)°.
- The C-C-O-N bond exhibits an anti conformation with a torsion angle of -177.11(16)°.
- Molecules interact through weak C-H⋯π interactions and aromatic π-π stacking (3.731(12) Å).
Conclusions:
- The study provides detailed structural information on a specific benzotriazole compound.
- The identified intermolecular interactions offer insights into crystal packing and potential material behavior.
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