Bis(diphenyl-phospho-rothio-yl) tris-ulfide

Area of Science:

• Organophosphorus chemistry
• Crystal engineering
• Solid-state chemistry

Background:

• Understanding the structural diversity of phosphorus-sulfur compounds is crucial for developing new materials.
• The synthesis and characterization of novel organophosphorus compounds provide insights into bonding and reactivity.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(24)H(20)P(2)S(5).
• To investigate the intermolecular interactions governing the solid-state arrangement of the molecules.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular and crystal structure.
• Analysis of bond angles, torsion angles, and intermolecular contacts (hydrogen bonds, pi-pi stacking) was performed.

Main Results:

• The compound exhibits trans arrangement of P atoms relative to the S(3) group and cisoid geometry in S=P-S-S systems (average torsion angle -56.7°).
• Dihedral angles between phenyl rings attached to P atoms are 87.33° and 75.67°.
• Molecules form chains via C-H⋯S hydrogen bonds, with chains further linked by π-π stacking interactions (centroid-to-centroid distance 3.795 Å).

Conclusions:

• The study provides a comprehensive structural analysis of C(24)H(20)P(2)S(5), highlighting its unique geometric features.
• The crystal packing is governed by a combination of weak C-H⋯S hydrogen bonds and π-π stacking, influencing the overall solid-state architecture.