Bis(1,3,4-thia-diazol-2-yl) disulfide

Area of Science:

• Crystal engineering and supramolecular chemistry.
• Solid-state organic chemistry.
• Materials science.

Background:

• Understanding the self-assembly of organic molecules is crucial for designing new materials.
• Sulfur-nitrogen compounds exhibit diverse structural motifs and potential applications.
• Intermolecular interactions dictate the final supramolecular architecture.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(4)H(2)N(4)S(4).
• To investigate the intermolecular interactions responsible for its three-dimensional assembly.
• To provide insights into the structure-property relationships of related sulfur-nitrogen systems.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Structural characterization of the molecular and supramolecular arrangement.
• Analysis of hydrogen bonding and S⋯S, S⋯N intermolecular contacts.

Main Results:

• The compound C(4)H(2)N(4)S(4) crystallizes with a twofold rotation axis at the central S-S bond.
• Planar thia-diazole rings are observed.
• A 3D supramolecular structure is formed via C-H⋯N hydrogen bonds, S⋯S interactions (3.5153 Å), and S⋯N contacts (3.1941 Å).

Conclusions:

• The crystal structure of C(4)H(2)N(4)S(4) is fully characterized.
• Hydrogen bonds and specific sulfur-mediated interactions are key to forming the observed 3D network.
• This work contributes to the understanding of supramolecular assembly in sulfur-nitrogen organic compounds.