N-Benzyl-N-(4-chloro-phen-yl)acrylamide

Area of Science:

• Crystallography
• Molecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular structure and intermolecular forces is crucial in crystal engineering.
• The specific arrangement of functional groups dictates crystal packing and properties.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(16)H(14)ClNO.
• To investigate the nature of intermolecular interactions governing crystal packing.

Main Methods:

• Single crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of dihedral angles and intermolecular contacts (C-H⋯O, C-H⋯π) was performed.

Main Results:

• The acrylamide unit exhibits planarity with defined dihedral angles to the benzene (80.06°) and phenyl (68.91°) rings.
• A dihedral angle of 49.79° was observed between the benzene and phenyl rings.
• Molecules self-assemble into a tape-like structure along the b axis via weak C-H⋯O and C-H⋯π interactions.

Conclusions:

• The study provides precise structural data for C(16)H(14)ClNO.
• Weak hydrogen bonding and π-interactions play a significant role in the observed crystal packing, forming a unique molecular tape architecture.