[4-(All-yloxy)phen-yl](phen-yl)methanone

Area of Science:

• Crystal chemistry
• Organic chemistry

Background:

• Understanding molecular structure and intermolecular interactions is crucial in chemistry.
• Crystal packing influences material properties.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound (C16H14O2).
• To analyze the specific molecular conformations and intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of dihedral angles and torsion angles provided conformational insights.
• Intermolecular interactions, including hydrogen bonds (C-H⋯O) and C-H⋯π interactions, were identified and analyzed.

Main Results:

• The structure of C16H14O2 exhibits a dihedral angle of 54.4(3)° between its aromatic rings.
• The allyl group displays a rotation of 37.4(4)° relative to the adjacent benzene ring.
• Crystal packing is dominated by C-H⋯O and C-H⋯π interactions, organized in layers along (011) and linked into a 3D network along [100].

Conclusions:

• The study provides a precise structural characterization of C16H14O2.
• The identified intermolecular interactions are key to the formation of the observed three-dimensional crystal network.
• This structural information can serve as a basis for predicting and understanding the physical properties of the compound.