O,O'-Dimethyl (cyclo-hexyl-amido)-thio-phosphate

Area of Science:

• Crystallography
• Organophosphorus Chemistry
• Structural Chemistry

Background:

• Organophosphorus compounds exhibit diverse chemical properties and applications.
• Understanding molecular structure is crucial for predicting chemical behavior and designing new materials.
• Crystallographic analysis provides precise atomic-level structural information.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(8)H(18)NO(2)PS.
• To characterize the bonding environment around the phosphorus atom.
• To investigate the conformational preferences and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Crystallographic data were collected and refined to high precision.
• Structural parameters including bond lengths, bond angles, and atomic coordinates were analyzed.

Main Results:

• The phosphorus atom is situated in a distorted tetrahedral (PSO(2)N) coordination environment.
• The cyclohexane ring displays positional disorder, existing as two equally populated sets of sites.
• Both disordered components of the cyclohexane ring adopt a chair conformation with an equatorial N-H group.
• Inversion dimers formed by P=S⋯H-N hydrogen bonds were identified in the crystal packing.

Conclusions:

• The study provides a comprehensive structural characterization of C(8)H(18)NO(2)PS.
• The observed structural features, including disorder and hydrogen bonding, offer insights into the compound's solid-state properties.
• This detailed structural data serves as a foundation for further investigations into the reactivity and potential applications of this organophosphorus compound.