9,9-Dimethyl-9,10-dihydroanthracene

Area of Science:

• Organic Chemistry
• Crystallography

Background:

• Understanding molecular conformations is crucial in organic chemistry.
• Benzene derivatives exhibit diverse structural properties.

Purpose of the Study:

• To elucidate the three-dimensional structure of the title compound, C(16)H(16).
• To analyze the conformational preferences of the central benzene ring and its substituents.
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
• Crystal structure was examined for intermolecular interactions, including C-H⋯π interactions.

Main Results:

• The central benzene ring adopts a boat conformation.
• A dihedral angle of 34.7(9)° was observed between the mean planes of the fused benzene rings.
• Methyl groups at the apex of the central ring were found in axial and equatorial conformations.
• Crystal packing is significantly influenced by weak C-H⋯π intermolecular interactions.

Conclusions:

• The C(16)H(16) molecule exhibits a non-planar boat conformation for its central benzene ring.
• The observed conformation and substituent orientation are key to understanding its chemical properties.
• Weak C-H⋯π interactions play a vital role in the solid-state arrangement of the molecule.