2,2,2-Tri-fluoro-N-(2-iodo-phen-yl)acetamide

Area of Science:

• Crystallography
• Materials Science
• Organic Chemistry

Background:

• Understanding the crystal structure of organic compounds is crucial for predicting their physical and chemical properties.
• The specific arrangement of atoms and intermolecular interactions dictates a material's behavior.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C8H5F3INO.
• To characterize the atomic disorder 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 intermolecular contacts was performed.

Main Results:

• The three fluorine atoms in C8H5F3INO exhibit positional disorder across two sites with occupancies of 0.615(14) and 0.385(14).
• Molecules are interconnected via N-H⋯O hydrogen bonds, leading to the formation of one-dimensional chains along the c-axis.
• The dihedral angle between the aromatic ring and the amide group was determined to be 62.1(3)°.

Conclusions:

• The crystal structure of C8H5F3INO is characterized by significant fluorine atom disorder and hydrogen-bonded chain formation.
• The observed structural features provide insights into the solid-state behavior and potential applications of this trifluoromethyl-substituted compound.