Bis(2,3-di-chloro-phen-yl) di-sulfide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the structural properties of novel organic compounds is crucial for developing new materials.
• Disulfide bonds and halogenated aromatic rings are common motifs in functional organic molecules.

Purpose of the Study:

• To elucidate the crystal structure of the title compound (C12H6Cl4S2).
• To characterize the bonding, molecular geometry, and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, torsion angles, and intermolecular contacts was performed.

Main Results:

• The compound exhibits a disulfide bond (S-S) with a length of 2.0252(8) Å, linking two 2,3-dichlorophenyl rings.
• A significant C-S-S-C torsion angle of 88.35(11)° and a dihedral angle of 89.83(11)° between the phenyl rings were observed.
• Intermolecular chlorine-chlorine interactions [3.4763(11) Å] and π-π stacking were identified, alongside intramolecular C-H⋯S interactions.

Conclusions:

• The crystal structure reveals a unique spatial arrangement of the dichlorophenyl rings facilitated by the disulfide bridge.
• The identified intermolecular forces play a significant role in the crystal packing and stability of the compound.
• This structural information provides a foundation for further investigation into the compound's potential applications.