1,4-Bis-(4-meth-oxy-phen-yl)naphthalene

Area of Science:

• Organic Chemistry
• Crystallography
• Materials Science

Background:

• Naphthalene derivatives are important in various chemical applications.
• Understanding molecular conformation and crystal packing is crucial for material properties.

Purpose of the Study:

• To characterize the crystal structure and molecular conformation of a novel naphthalene derivative.
• To investigate the intermolecular interactions and supramolecular assembly in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the molecular structure.
• Analysis of bond lengths, angles, and dihedral angles provided conformational insights.
• Identification of intermolecular interactions (C-H⋯π) and packing motifs.

Main Results:

• Two independent molecules (A and B) with similar conformations were identified.
• Naphthalene cores showed slight bending, with dihedral angles between benzene rings of ~3-4°.
• Methoxybenzene rings were splayed out at dihedral angles of ~60-67°.
• Intermolecular C-H⋯π interactions formed supramolecular chains along the b-axis.

Conclusions:

• The study provides a detailed structural characterization of the title naphthalene derivative.
• The observed molecular conformation and crystal packing are influenced by C-H⋯π interactions.
• The formation of supramolecular chains suggests potential for ordered material assembly.