6,14-Dibromo-2,11-dithia-[3.3]paracyclo-phane

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the structural properties of complex organic molecules is crucial for developing new materials.
• Sulfur-containing organic compounds often exhibit unique electronic and structural characteristics.
• Dibrominated aromatic systems can serve as building blocks in supramolecular chemistry.

Purpose of the Study:

• To elucidate the crystal structure of the novel compound 1(2),5(2)-dibromo-2,7-dithia-1,5(1,4)-dibenzenaocta-phane.
• To analyze the spatial arrangement and intermolecular interactions within the crystal lattice.
• To provide foundational data for potential applications in materials science.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• The crystal structure was solved and refined using standard crystallographic software.
• Intermolecular contacts were identified and quantified.

Main Results:

• The systematic name of the compound is 1(2),5(2)-dibromo-2,7-dithia-1,5(1,4)-dibenzenaocta-phane (C(16)H(14)Br(2)S(2)).
• The centroids of the two benzene rings are separated by a distance of 3.313(5) Å.
• Weak intermolecular sulfur-sulfur (S⋯S) contacts of 3.538(2) Å were observed in the crystal packing.

Conclusions:

• The crystal structure of the title compound has been successfully determined.
• The observed benzene ring separation and S⋯S contacts provide insights into the molecule's packing behavior.
• This structural data contributes to the understanding of dibrominated sulfur-containing organic compounds.