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Updated: Jun 1, 2026
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07:12
Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
3-(4-Methoxy-phen-yl)-1H-isochromen-1-one
Summary
This study details the crystal structure of C(16)H(12)O(3), revealing two independent molecules. The planar isochromene core shows specific orientations relative to its methoxy-benzene rings.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular structure is crucial for predicting material properties.
- Isochromene derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(16)H(12)O(3).
- To analyze the geometric parameters and spatial arrangement of the independent molecules within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Crystallographic data were collected and analyzed to obtain precise atomic coordinates and bond parameters.
Main Results:
- The asymmetric unit contains two crystallographically independent molecules of C(16)H(12)O(3).
- The isochromene ring system in both molecules is planar with minimal deviation.
- Distinct dihedral angles were observed between the isochromene core and the methoxy-benzene rings in the independent molecules.
Conclusions:
- The detailed crystal structure provides fundamental insights into the solid-state behavior of this isochromene derivative.
- The observed molecular geometry and packing may influence the compound's physical and chemical properties.
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