N-(3-Chloro-4-fluoro-phen-yl)acetamide.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise details on molecular conformation and intermolecular interactions.
• Hydrogen bonding plays a significant role in the self-assembly of molecules in the solid state.

Purpose of the Study:

• To determine and describe the crystal structure of the title compound, C(8)H(7)ClFNO.
• To investigate the conformational preferences of the acetamide side chain relative to the benzene ring.
• To characterize the hydrogen bonding network and supramolecular architecture in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of bond lengths, bond angles, and dihedral angles provided structural insights.

Main Results:

• The dihedral angle between the benzene ring and the acetamide group was determined to be 5.47(6)°.
• An intramolecular C-H⋯O hydrogen bond was identified, forming an S(6) ring motif.
• Intermolecular N-H⋯O hydrogen bonds were observed, leading to the formation of C(4) chains along the [001] direction.

Conclusions:

• The crystal structure of C(8)H(7)ClFNO exhibits a near-planar arrangement between the aromatic ring and the acetamide moiety.
• Intramolecular hydrogen bonding significantly influences the molecular conformation.
• The observed intermolecular hydrogen bonding dictates the packing in the crystal, forming extended chain structures.