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Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate.

R T Stibrany1, P Brant

  • 1Corporate Strategic Research, ExxonMobil Research and Engineering Company, Annandale, New Jersey 08801, USA. rtstibr@erenj.com

Acta Crystallographica. Section C, Crystal Structure Communications
|May 16, 2001
PubMed
Summary
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This study details the crystal structure of a novel borate compound, highlighting strong hydrogen bonds between the borate anion and ammonium cation. The N-H.O bond length was precisely measured.

Area of Science:

  • Crystal chemistry
  • Supramolecular chemistry
  • Organoboron chemistry

Background:

  • Understanding hydrogen bonding interactions is crucial in crystal engineering and materials science.
  • Borate anions and ammonium cations are common building blocks in various chemical structures.
  • The properties of ionic compounds are significantly influenced by cation-anion interactions.

Purpose of the Study:

  • To characterize the crystal structure of a specific ammonium borate compound.
  • To investigate the nature and strength of hydrogen bonding in this system.
  • To provide precise structural data for the N-H.O hydrogen bond.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of the crystal structure revealed the arrangement of ions and hydrogen bonding network.

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  • Bond lengths and angles were accurately measured.

    • Main Results:

    • The title compound, [(CH(3))(2)(C(7)H(7))NH][(C(6)F(5))(3)B(OH)], was synthesized and structurally characterized.
    • Distorted tetrahedral borate anions and substituted ammonium cations were identified.
    • A strong N-H.O hydrogen bond was observed with an N.O separation of 2.728 (3) Å.

    Conclusions:

    • The crystal structure confirms the presence of significant hydrogen bonding between the borate and ammonium ions.
    • The measured N.O separation indicates a strong hydrogen bond, influencing the compound's properties.
    • This structural data contributes to the understanding of ionic interactions in organoboron compounds.