2,2-Diphenyl-N-(2,4,5-trichloro-phen-yl)acetamide

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties.
• Crystal engineering relies on characterizing intermolecular forces to design materials with specific functions.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(20)H(14)Cl(3)NO.
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
• Hydrogen bonding interactions (N-H⋯O, C-H⋯O, C-H⋯Cl) were identified and characterized.

Main Results:

• The asymmetric unit contains two independent molecules with differing dihedral angles between aromatic rings.
• One molecule exhibits an intramolecular C-H⋯O hydrogen bond forming an S(6) ring.
• Intermolecular N-H⋯O, C-H⋯O, and C-H⋯Cl hydrogen bonds link molecules into chains and a 3D network.

Conclusions:

• The crystal structure of C(20)H(14)Cl(3)NO is characterized by significant conformational flexibility and extensive hydrogen bonding.
• The identified hydrogen bonding network dictates the overall crystal packing and supramolecular architecture.
• These findings contribute to the understanding of structure-property relationships in chlorinated organic compounds.