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Cyclohexylphosphonic Acid.

Klaus Merz1, Annegret Knüfer

  • 1Anorganische Chemie 1, Ruhr Universität Bochum, Universitätsstrasse 150, D-44780 Bochum, Germany. klaus@merz.as

Acta Crystallographica. Section C, Crystal Structure Communications
|March 1, 2002
PubMed
Summary

This study details the crystal structure of a phosphonic acid compound, C(6)H(13)O(3)P. Researchers observed intermolecular hydrogen bonding forming one-dimensional chains and a crystallographic mirror plane.

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Area of Science:

  • Crystallography
  • Materials Science
  • Chemical Physics

Background:

  • Phosphonic acids are important functional molecules with diverse applications.
  • Understanding the solid-state structure of phosphonic acids is crucial for predicting their properties.
  • Crystallographic studies provide detailed information on molecular arrangement and intermolecular interactions.

Purpose of the Study:

  • To determine the crystal structure of the title compound, C(6)H(13)O(3)P.
  • To analyze the bond lengths within the phosphonic acid moiety.
  • To investigate the intermolecular interactions and resulting supramolecular architecture.

Main Methods:

  • Single-crystal X-ray diffraction was employed to analyze the compound.
  • Crystallographic data were collected and processed to determine the unit cell parameters and atomic positions.
  • Bond lengths and intermolecular interactions were quantified and analyzed.

Main Results:

  • The title compound, C(6)H(13)O(3)P, exhibits a crystallographic mirror plane.
  • Key bond lengths in the phosphonic acid group were measured: P=O at 1.5557 (13) Å and P=O at 1.5089 (18) Å.
  • Molecules self-assemble into a one-dimensional chain structure through intermolecular hydrogen bonding, forming fused rings.

Conclusions:

  • The crystal structure reveals specific bond lengths and a unique arrangement of the phosphonic acid moiety.
  • Intermolecular hydrogen bonding dictates the formation of a 1D supramolecular chain.
  • The absence of significant inter-plane contacts highlights the directional nature of these interactions.

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