4,4-Dimethyl-2-phenyl-4,5-di-hydro-pyrrolo-[2,3,4-kl]acridin-1(2H)-one

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Acridine derivatives are known for their diverse applications.
• Understanding molecular conformation is crucial for predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a novel C22H18N2O compound.
• To provide insights into structure-property relationships for acridine-based molecules.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed.
• Molecular geometry and packing arrangements were analyzed.

Main Results:

• The crystal structure reveals a pendant phenyl ring twisted by 43.85° relative to the acridine moiety.
• The structure exhibits aromatic π-π stacking with a centroid-to-centroid distance of 3.489 Å.
• Weak C-H⋯O hydrogen bonds were identified as stabilizing interactions.

Conclusions:

• The non-planar conformation and observed intermolecular interactions dictate the solid-state packing.
• This structural information is vital for the design of new functional organic materials.