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Tris(4-chloro-phen-yl) phosphate.

Joshua Birch1, Eric Cyriel Hosten1, Richard Betz1

  • 1Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.

Iucrdata
|December 9, 2024
PubMed
Summary
This summary is machine-generated.

This study details a symmetric phosphate compound derived from para-chlorophenol and phosphoric acid. Its molecular structure features specific aromatic ring orientations and forms sheet-like crystal structures via hydrogen bonds.

Keywords:
crystal structure

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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Materials Science

Background:

  • The synthesis and structural characterization of organophosphates are crucial for understanding their chemical properties.
  • Symmetric phosphates derived from phenolic compounds offer unique structural and bonding possibilities.

Purpose of the Study:

  • To elucidate the molecular and crystal structure of a novel symmetric phosphate compound.
  • To analyze the intermolecular interactions governing the extended structure of the title compound.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, bond angles, and intermolecular interactions (C-H⋯O bonds) was performed.

Main Results:

  • The title compound, C18H12Cl3O4P, was identified as a symmetric phosphate derived from para-chlorophenol and phosphoric acid.
  • Two aromatic moieties exhibit syn-orientation relative to the P=O bond, with the third oriented away.
  • The extended crystal structure is characterized by C-H⋯O hydrogen bonds forming sheets perpendicular to the b axis.

Conclusions:

  • The study successfully determined the detailed molecular and crystal structure of the symmetric phosphate.
  • Intermolecular C-H⋯O hydrogen bonding plays a key role in organizing the molecules into a specific layered architecture.