1,8-Bis(4-meth-oxy-3-nitro-phen-yl)naphthalene

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• The naphthalene ring system is a common scaffold in various functional materials and pharmaceuticals.
• Substituted phenyl rings can significantly influence molecular conformation and electronic properties.

Purpose of the Study:

• To elucidate the crystal structure and molecular conformation of the title compound, C(24)H(18)N(2)O(6).
• To analyze the spatial relationship between the naphthalene core and the substituted phenyl rings.
• To provide a detailed structural basis for potential applications of this class of compounds.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• The crystallographic data were analyzed to identify symmetry elements and measure dihedral angles.
• Molecular modeling and visualization tools were used to describe the overall conformation.

Main Results:

• The molecule C(24)H(18)N(2)O(6) crystallizes with molecules situated on a twofold rotation axis.
• A nearly coplanar arrangement was observed between the two substituted phenyl rings, with a dihedral angle of 18.53(5)°.
• Each phenyl ring displayed a significant twist of 65.40(5)° relative to the naphthalene ring system.

Conclusions:

• The title compound exhibits a distinct molecular conformation dictated by the interplay between the naphthalene core and its substituents.
• The observed dihedral angles provide critical insights into the steric and electronic factors governing the molecule's three-dimensional structure.
• This structural characterization serves as a foundation for further investigations into the compound's physical and chemical behavior.