(4-Ethyl-cyclo-hex-yl)(4-meth-oxy-phen-yl)methanone.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

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 about molecular geometry and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C16H22O2.
• To determine the conformation of the cyclohexane ring and its orientation relative to the benzene ring.
• To identify the types of intermolecular forces stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the atomic coordinates and bond lengths/angles provided geometric information.
• Intermolecular interactions were assessed based on distances and coordination environments.

Main Results:

• The cyclohexane ring in C16H22O2 adopts a chair conformation.
• A dihedral angle of 54.2(6)° was measured between the mean plane of the cyclohexane ring and the benzene ring.
• The crystal structure is exclusively stabilized by van der Waals interactions, with no classical intermolecular hydrogen bonding detected.

Conclusions:

• The chair conformation of the cyclohexane ring and its specific orientation relative to the benzene ring are key features of this molecule's solid-state structure.
• The absence of hydrogen bonding highlights the dominant role of van der Waals forces in the crystal packing of C16H22O2.
• This structural information is fundamental for further studies on the physical and chemical properties of this compound.