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 P[double bond, length as m-dash]O⋯HC type interaction. The embedded water molecule bridges two P[double bond, length as m-dash]O 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.
|Number of pages||5|
|Publication status||Published - 26 Mar 2007|