(3-Chloro-prop-yl)triphenyl-phospho-nium bromide

Area of Science:

• Organophosphorus Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Phosphonium salts are versatile compounds with applications in synthesis and materials science.
• Understanding the solid-state structure of phosphonium salts is crucial for predicting their reactivity and properties.

Purpose of the Study:

• To elucidate the crystal structure of the mixed aryl-alkyl phosphonium bromide salt C(21)H(21)ClP(+)Br(-).
• To analyze the geometric parameters, conformational preferences, and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
• Analysis of bond angles, torsion angles, and non-covalent interactions (hydrogen bonds and π-interactions) was performed.

Main Results:

• The compound crystallizes as the bromide salt of a mixed aryl-alkyl phosphonium cation.
• Specific C-P-C bond angles (107.20–111.18°) and a staggered conformation of the 3-chloro-propyl group (torsion angle -72.0°) were observed.
• Crystal packing features double zigzag chains formed by C-H⋯Br contacts, further linked into layers via C-H⋯π interactions.

Conclusions:

• The study provides a detailed structural characterization of this novel phosphonium salt.
• The identified intermolecular interactions dictate the supramolecular architecture, offering insights into crystal engineering strategies.
• This structural data can inform the design of new organophosphorus compounds with tailored properties.