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4-Bromo-methyl-6-meth-oxy-2H-chromen-2-one
Summary
This study reveals that a specific coumarin derivative, C(11)H(9)BrO(3), maintains its crystal structure through subtle C-H⋯O hydrogen bonds. These weak interactions are key to the molecule's stability.
Area of Science:
- Crystal engineering
- Organic chemistry
- Supramolecular chemistry
Background:
- Coumarin derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the intermolecular forces governing crystal packing is crucial for designing new materials.
Purpose of the Study:
- To elucidate the structural characteristics and stabilization mechanisms of the coumarin derivative C(11)H(9)BrO(3).
- To identify the role of non-covalent interactions in the solid-state structure.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
- Analysis of intermolecular interactions, specifically hydrogen bonding, was performed.
Main Results:
- The crystal structure of C(11)H(9)BrO(3) was successfully determined.
- Weak intermolecular C-H⋯O hydrogen bonds were identified as the primary stabilizing forces in the crystal lattice.
Conclusions:
- The crystal structure of this coumarin derivative is significantly influenced by C-H⋯O hydrogen bonding.
- These findings contribute to the understanding of structure-property relationships in coumarin-based compounds.
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