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Issue 7, 2007
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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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Abstract

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.

Graphical abstract: 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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The article was received on 12 Feb 2007, accepted on 07 Mar 2007 and first published on 26 Mar 2007


Article type: Paper
DOI: 10.1039/B702137B
CrystEngComm, 2007,9, 561-565

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    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

    M. Czugler, T. Körtvélyesi, L. Fábián, M. Sipos and G. Keglevich, CrystEngComm, 2007, 9, 561
    DOI: 10.1039/B702137B

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