1-(1-chlorovinyl)-2,7-dimethoxynaphthalene.

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the precise three-dimensional structure of organic molecules in the solid state is crucial for predicting their chemical behavior and physical properties.
• Detailed structural analysis provides fundamental data for molecular design and materials science.

Purpose of the Study:

• To determine and describe the crystal structure of the compound C14H13ClO2.
• To analyze the molecular geometry, including planarity, dihedral angles, and torsion angles of specific functional groups.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic techniques.

Main Results:

• The compound crystallizes in the monoclinic space group P21/n with specific unit cell parameters.
• The molecular structure exhibits a dihedral angle of 101.93(4) degrees between the naphthalene system and the chlorovinyl group.
• Conformations of the two methoxy groups were determined, with torsion angles of -175.6(2) degrees and 1.9(3) degrees.

Conclusions:

• The crystal structure of C14H13ClO2 has been successfully elucidated.
• The detailed structural parameters provide valuable information on the molecule's conformation and the influence of substituents on its geometry.