(E)-3-(4-Fluoro-phen-yl)-1-phenyl-2-propen-1-one

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding the molecular geometry and intermolecular forces of organic compounds is crucial for predicting their physical and chemical properties.
• Fluorinated organic molecules exhibit unique electronic and steric properties, making them valuable in various applications.

Purpose of the Study:

• To elucidate the precise molecular configuration and crystal packing of the title compound, C(15)H(11)FO.
• To investigate the nature of intermolecular interactions stabilizing the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.
• Intermolecular interactions, such as C-H⋯π bonds, were identified and analyzed.

Main Results:

• The compound C(15)H(11)FO adopts an s-cis configuration for the keto group relative to the olefinic double bond.
• A small dihedral angle of 10.61(10)° was measured between the planes of the two benzene rings.
• Crystal packing is significantly stabilized by C-H⋯π interactions involving both aromatic rings.

Conclusions:

• The s-cis conformation and the observed dihedral angle dictate the overall molecular shape.
• C-H⋯π interactions play a key role in the efficient packing of these molecules in the solid state.
• This structural information contributes to the understanding of structure-property relationships in fluorinated organic compounds.