Intra- and intermolecular interactions and water pincer in the crystal structure of a 3-P(O)Ph2 substituted 1,2,3,6-tetrahydrophosphinine oxide hydrate

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Single crystal X-ray structure analysis of 3-diphenylphosphinoxido-1- phenyl-4-chloro-1,2,3,6-tetrahydrophosphinine oxide (1)·H2O provided experimental proof for a transannular PO⋯HC type interaction. The embedded water molecule bridges two PO groups of the P-heterocycle via intra-associate hydrogen bonds. Theoretical calculations showed that the conformation of the hetero-ring alters only slightly due to the presence of the water molecule. Thus 1 behaves as a preorganized host molecule for water, presenting a minimum ring-size molecular environment for water binding.

Original languageEnglish
Pages (from-to)561-565
Number of pages5
Issue number7
Publication statusPublished - Aug 3 2007


ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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