2-(4-Chloro-phen-yl)acetamide

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the molecular conformation and intermolecular interactions of organic compounds is crucial for predicting their physical and chemical properties.
• Chloroacetamide derivatives are important in various chemical applications, necessitating detailed structural analysis.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(8)ClNO.
• To investigate the molecular conformation, specifically the orientation of the acetamide group relative to the benzene ring.
• To characterize the intermolecular interactions and packing arrangement in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Analysis of the crystal structure involved identifying bond lengths, bond angles, and dihedral angles.
• Intermolecular interactions, such as hydrogen bonding, were identified and analyzed.

Main Results:

• The crystal structure of C(8)H(8)ClNO was successfully determined.
• A significant dihedral angle of 83.08° was observed between the acetamide group and the benzene ring, indicating substantial deviation from planarity.
• N-H⋯O hydrogen bonds were identified as the primary intermolecular forces, leading to the formation of layered structures parallel to the ab plane.

Conclusions:

• The study provides a detailed structural insight into the chloroacetamide compound.
• The observed molecular conformation and hydrogen bonding patterns are key to understanding the compound's solid-state behavior.
• This structural information can be valuable for further research involving similar chloroacetamide derivatives.