2-Methoxy-naphthalene-1-carbaldehyde

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the packing of organic molecules in crystals is crucial for predicting material properties.
• Naphthalene derivatives are common scaffolds in organic electronics and pharmaceuticals.
• The specific arrangement of functional groups influences intermolecular interactions and solid-state behavior.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(12)H(10)O(2).
• To investigate the intermolecular interactions governing the solid-state assembly of this naphthalene derivative.
• To analyze the conformational preferences of the aldehyde and methoxy substituents.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles provided conformational details.
• Intermolecular interactions, specifically hydrogen bonding, were identified and characterized.

Main Results:

• The crystal structure of C(12)H(10)O(2) was successfully determined.
• The aldehyde and methoxy groups exhibit slight twists relative to the naphthalene core.
• Molecules are interconnected by intermolecular C-H⋯O hydrogen bonds, forming one-dimensional chains along the c-axis.

Conclusions:

• The crystal packing of C(12)H(10)O(2) is primarily dictated by C-H⋯O hydrogen bonding.
• The observed molecular conformation and hydrogen bonding patterns provide a basis for understanding its solid-state properties.
• This structural information contributes to the broader knowledge of naphthalene derivative crystal engineering.