Methyl 4-(benz-yloxy)-3-meth-oxy-benzo-ate

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Organic solid-state chemistry

Background:

• Understanding molecular interactions is key to designing functional materials.
• Crystal structure analysis provides insights into intermolecular forces.
• C-H⋯O and C-H⋯π interactions play significant roles in crystal packing.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C16H16O4.
• To investigate the intermolecular interactions governing the crystal packing.
• To characterize the self-assembly behavior in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonds (C-H⋯O) and C-H⋯π interactions was performed.
• Dihedral angles between aromatic rings were measured.

Main Results:

• The crystal structure of C16H16O4 was determined, with a molecular formula of C16H16O4.
• Aromatic rings exhibit a dihedral angle of 85.81(10)°, indicating near-orthogonality.
• Molecules form chains along the b-axis via C-H⋯O hydrogen bonds.
• These chains are further linked by C-H⋯π interactions, creating 2D networks parallel to the (102) plane.

Conclusions:

• The crystal packing of C16H16O4 is dictated by a combination of C-H⋯O hydrogen bonds and C-H⋯π interactions.
• These interactions lead to the formation of extended one-dimensional chains and two-dimensional networks.
• The study provides valuable data on supramolecular assembly in organic crystals.