10-Bromo-N,N-di-phenyl-anthracen-9-amine

Area of Science:

• Crystal Chemistry
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding molecular interactions is crucial for designing new materials.
• Anthracene derivatives are important in materials science and organic electronics.
• Brominated organic compounds exhibit unique reactivity and intermolecular forces.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a novel brominated anthracene compound.
• To investigate the role of weak interactions in the solid-state packing of organic molecules.
• To characterize the dihedral angles between the anthracene core and pendant phenyl rings.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed.
• The crystal structure was solved and refined.
• Intermolecular interactions, including C-H⋯Br, π-π stacking, and C-H⋯π interactions, were analyzed.

Main Results:

• The title compound, C26H18BrN, was structurally characterized.
• Dihedral angles between the anthracene core and phenyl rings were determined as 89.51° and 74.03°.
• A weak C-H⋯Br interaction was identified, leading to the formation of [100] chains. No significant π-π or C-H⋯π interactions were observed.

Conclusions:

• The crystal packing is primarily influenced by weak C-H⋯Br interactions.
• The observed dihedral angles suggest a non-planar conformation of the molecule in the solid state.
• The absence of significant π-π stacking indicates limited electronic communication between adjacent molecules in the crystal lattice.