3-Benzyl-idene-6-methoxy-chroman-4-one
Summary
This study details the molecular structure of a specific organic compound, C(17)H(14)O(3). Key findings include the dihedral angle between its phenyl and benzene rings and its stabilization through intermolecular interactions.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Chromanone derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C(17)H(14)O(3).
- To provide detailed structural information for further research on chromanone derivatives.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including C-H⋯O hydrogen bonds, was performed.
Main Results:
- The dihedral angle between the phenyl ring and the chromanone moiety's benzene ring was determined to be 67.78(3)°.
- The six-membered heterocyclic ring of the chromanone moiety adopts a half-chair conformation.
- The crystal structure is stabilized by weak intermolecular C-H⋯O interactions, forming inversion dimers.
Conclusions:
- The study provides a precise structural characterization of the C(17)H(14)O(3) compound.
- The identified intermolecular interactions offer insights into the solid-state packing and potential supramolecular assembly of chromanone derivatives.
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