N-[4-Cyano-3-(trifluoro-meth-yl)phen-yl]-2-meth-oxy-benzamide

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Aromatic compounds with carboxamide linkages are prevalent in pharmaceuticals and materials science.

Purpose of the Study:

• To elucidate the detailed molecular structure and intermolecular interactions of the title compound, C(16)H(11)F(3)N(2)O(2).
• To characterize the conformational preferences and hydrogen bonding network within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.
• Intermolecular and intramolecular interactions were identified through hydrogen bond analysis.

Main Results:

• The title compound, C(16)H(11)F(3)N(2)O(2), exhibits a non-planar molecular geometry.
• The carboxamide group adopts a syn-periplanar configuration, linking two aromatic rings.
• A dihedral angle of 13.95° was measured between the two aromatic rings.
• Intramolecular hydrogen bonds (N-H⋯O and C-H⋯O) were observed.
• Intermolecular C-H⋯O hydrogen bonds facilitate crystal packing.

Conclusions:

• The study provides a comprehensive structural characterization of the title compound.
• The identified hydrogen bonding patterns are key to understanding the solid-state behavior and potential applications of this molecule.
• The non-planar conformation and specific functional group arrangements offer insights for designing related molecules with tailored properties.