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Updated: Jun 1, 2026
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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
4-(4-Chloro-phen-yl)-5-phenyl-isoxazole
This study details a functionalized isoxazole molecule, C(15)H(10)ClNO, featuring chloro-phenyl and phenyl groups. It analyzes the specific spatial arrangement and angles between the isoxazole and benzene rings.
Area of Science:
- Crystallography and Molecular Structure
- Organic Chemistry
- Materials Science
Background:
- Isoxazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
Purpose of the Study:
- To characterize the crystal structure of a novel functionalized isoxazole compound.
- To determine the spatial orientation of the aromatic rings within the molecule.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed on the title compound, C(15)H(10)ClNO.
- The crystal structure was solved and refined to determine atomic positions and bond parameters.
Main Results:
- The compound C(15)H(10)ClNO was successfully synthesized and characterized.
- The crystal structure reveals a functionalized isoxazole core with chloro-phenyl and phenyl substituents.
- The mean plane of the isoxazole ring is inclined at specific angles (38.32° and 43.91°) relative to the two benzene ring planes.
Conclusions:
- The determined crystal structure provides precise geometric information about this functionalized isoxazole.
- The observed dihedral angles are important for understanding molecular packing and potential intermolecular interactions.
- This structural data can inform the design of related compounds for various applications.
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07:30A Direct, Regioselective and Atom-Economical Synthesis of 3-Aroyl-N-hydroxy-5-nitroindoles by Cycloaddition of 4-Nitronitrosobenzene with Alkynones
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