2-(2-Chloro-phen-yl)-N-cyclo-hexyl-2-oxoacetamide

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise atomic arrangements and intermolecular interactions in the solid state.

Purpose of the Study:

• To elucidate the crystal structure of the compound C14H16ClNO2.
• To characterize the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The crystal structure was solved and refined using standard crystallographic techniques.
• Disordered solvent molecules were treated using the SQUEEZE routine in the PLATON software.

Main Results:

• The cyclo-hexyl ring adopts a chair conformation.
• The dihedral angle between the benzene ring and the cyclo-hexyl ring plane is 45.2(3)°.
• The two carbonyl groups are in a trans configuration with a torsion angle of -137.1(3)°.
• Intermolecular N-H⋯O hydrogen bonds link molecules into chains propagating along the [001] direction.
• A solvent-accessible void was identified, likely due to residual solvent, and accounted for during refinement.

Conclusions:

• The crystal structure of C14H16ClNO2 has been successfully determined.
• The study provides detailed insights into the molecular geometry and solid-state packing of the compound.
• The identified hydrogen bonding network plays a significant role in the crystal structure stabilization.