6-Meth-oxy-4-methyl-2H-chromen-2-one.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Coumarin derivatives are known for diverse biological and chemical properties.
• Understanding the solid-state structure of organic molecules is crucial for predicting their behavior and applications.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a specific coumarin derivative (C11H10O3).
• To provide a detailed analysis of the molecular geometry and packing in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure included assessment of planarity and identification of hydrogen bonding interactions.

Main Results:

• The coumarin derivative (C11H10O3) exhibits an approximately planar molecular conformation.
• A maximum deviation of 0.116(3) Å from the least-squares plane was observed for non-hydrogen atoms.
• Intermolecular C-H⋯O hydrogen bonds link adjacent molecules into chains along the [011] direction.

Conclusions:

• The planar structure of the coumarin derivative influences its crystal packing.
• The identified hydrogen bonding network plays a significant role in the assembly of molecules in the solid state.
• This structural information is fundamental for further research into the properties and potential applications of this coumarin derivative.