N-Cyclo-hexyl-2-fluoro-benzamide.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional arrangement of atoms within organic molecules is crucial for predicting their physical and chemical properties.
• Intermolecular forces, such as hydrogen bonds, play a significant role in determining crystal packing and material characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(13)H(16)FNO.
• To analyze the molecular conformation and intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond distances, angles, and non-covalent interactions (hydrogen bonds, C-H···O, C-H···F, C-H···π) was performed.

Main Results:

• The fluoro-benzene and amide planes are inclined at a dihedral angle of 29.92(7)°.
• The cyclohexane ring adopts a chair conformation.
• N-H⋯O hydrogen bonds and weak C-H⋯O interactions form transverse chains.
• These chains are further linked into zigzag columns by C-H⋯F hydrogen bonds and C-H⋯π interactions.

Conclusions:

• The crystal structure of C(13)H(16)FNO is characterized by specific molecular conformations and a network of intermolecular interactions.
• The identified hydrogen bonding and π-interactions dictate the supramolecular assembly in the solid state.
• This structural information contributes to the understanding of structure-property relationships in fluorinated organic compounds.