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Related Experiment Videos

5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide.

Katarzyna Slepokura1, Tadeusz Lis

  • 1Faculty of Chemistry, University of Wrocław, 14 Joliot-Curie St., 50-383 Wrocław, Poland. slep@wcheto.chem.uni.wroc.pl

Acta Crystallographica. Section C, Crystal Structure Communications
|May 8, 2004
PubMed
Summary

This study details the crystal structure of a cyclic phosphate triester, revealing a distorted ring conformation and specific molecular orientations. These findings offer insights into the chemical bonding and structural properties of organophosphate compounds.

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Area of Science:

  • Organophosphorus Chemistry
  • Crystallography
  • Molecular Structure

Background:

  • Cyclic phosphate triesters are important in various chemical applications.
  • Understanding their precise three-dimensional structure is crucial for predicting reactivity and properties.

Purpose of the Study:

  • To elucidate the detailed molecular and crystal structure of a specific cyclic phosphate triester (C11H15O6P).
  • To analyze the conformation of the dioxaphosphorinane ring and substituent orientations.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed.
  • The crystal structure was determined and refined.

Main Results:

  • The six-membered dioxaphosphorinane ring adopts a distorted chair conformation.

Related Experiment Videos

  • The phenoxy group is in an axial position, with phenyl and methoxy groups in trans-gauche orientations.
  • The phosphate group exhibits significant deviation from ideal tetrahedral geometry.
  • A 3D network of C-H...O interactions stabilizes the crystal structure.

    • Conclusions:

    • The study provides a precise structural characterization of the title compound.
    • Observed conformational distortions and intermolecular interactions offer insights into organophosphate behavior.