1,2,3,5-Tetra-hydro-naphtho-[2,1-c]oxepine

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular conformation and crystal packing is crucial in solid-state chemistry.
• Intermolecular forces dictate the macroscopic properties of crystalline materials.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound (C14H14O).
• To analyze the conformational preferences and packing motifs in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure and crystal packing.
• Analysis of hydrogen bonding (C-H⋯O) and π-π stacking interactions was performed.

Main Results:

• The seven-membered ring adopts a pseudo-chair conformation.
• Molecules are interconnected by weak C-H⋯O hydrogen bonds, forming layers parallel to the (010) plane.
• Weak π-π stacking interactions were observed between naphthalene ring systems with a centroid-centroid distance of 3.518(5) Å.

Conclusions:

• The crystal structure is stabilized by a combination of hydrogen bonding and π-π stacking.
• The observed conformation and packing arrangement provide insights into the solid-state behavior of this organic compound.