2,2'-[2,5-Bis(hex-yloxy)-1,4-phenyl-ene]dithio-phene

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the solid-state structure of organic molecules is crucial for predicting material properties.
• Thiophene-containing compounds are of interest due to their electronic and optical properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(26)H(34)O(2)S(2).
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and non-covalent interactions was performed.

Main Results:

• The asymmetric unit contains one half-molecule situated on an inversion center.
• A dihedral angle of 5.30(7)° was measured between the thiophene and benzene rings, indicating significant twisting.
• The n-hexyl groups adopt a fully extended conformation.
• Short C-H⋯π contacts involving the thiophene groups were identified as a key crystal packing feature.

Conclusions:

• The crystal structure reveals a specific molecular arrangement influencing solid-state properties.
• The observed twisting and intermolecular contacts provide insights into the packing behavior of this class of compounds.