(E)-3-(2,6-Dichloro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one

Area of Science:

• Organic Chemistry
• Crystallography
• Materials Science

Background:

• Chalcones and their derivatives are known for diverse biological activities and interesting structural properties.
• Understanding the precise molecular arrangement in the solid state is crucial for predicting material behavior and designing new compounds.

Purpose of the Study:

• To elucidate the detailed molecular structure and crystal packing of a specific dichloro-phenyl and methoxy-phenyl substituted prop-2-en-1-one derivative.
• To investigate the stereochemistry of the double bond and the planarity of the molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
• Crystal structure analysis revealed the packing arrangement and intermolecular interactions.

Main Results:

• The compound, C(16)H(12)Cl(2)O(2), features dichloro-phenyl and methoxy-phenyl groups linked by a prop-2-en-1-one bridge.
• The C=C double bond within the prop-2-en-1-one moiety adopts a trans configuration.
• The molecule is non-planar, with a dihedral angle of 6.21° between the two aromatic rings, indicating a twisted conformation.
• The crystal structure exhibits a layered arrangement, characterized by two types of crossed layers parallel to specific crystallographic planes.

Conclusions:

• The study provides a comprehensive structural characterization of the title compound at the molecular and crystalline levels.
• The non-planar geometry and specific crystal packing are key features influencing the compound's physical and potentially chemical properties.
• This detailed structural information serves as a foundation for further investigations into the compound's applications and structure-property relationships.