(5-n-Hexyl-2-hydroxymethyl-1,3-dioxan-2-yl)methanol.

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding molecular conformations and intermolecular interactions is crucial in crystal engineering.
• The study of organic compounds with dioxane rings provides insights into their structural properties.

Purpose of the Study:

• To elucidate the crystal structure and molecular arrangement of the title compound, C(12)H(24)O(4).
• To investigate the conformational preferences of the dioxane ring and the n-hexyl chain.
• To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Conformational analysis was performed on the dioxane ring and the n-hexyl substituent.
• Analysis of hydrogen bonding networks and crystal packing was conducted.

Main Results:

• The dioxane ring adopts a chair conformation.
• The n-hexyl chain adopts an extended, zigzag conformation in an equatorial position.
• Molecules are linked by O-H⋯O hydrogen bonds, forming zigzag chains along the b axis.
• A characteristic herringbone packing pattern was observed in the crystal.

Conclusions:

• The study successfully determined the crystal structure of C(12)H(24)O(4), highlighting specific conformational preferences.
• The observed hydrogen bonding pattern dictates the formation of zigzag chains and the overall herringbone crystal structure.
• This detailed structural information contributes to the understanding of molecular assembly in organic crystals.