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

Czugler, Mátyás, Körtvélyesi, Tamás, Fabian, Laszlo, Sipos, Melinda and Keglevich, György (2007) 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. CrystEngComm, 9 (7). pp. 561-565. ISSN 1466-8033

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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.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Pharmacy
UEA Research Groups:	Faculty of Science > Research Groups > Drug Delivery and Pharmaceutical Materials (former - to 2017) Faculty of Science > Research Groups > Pharmaceutical Materials and Soft Matter
Depositing User:	Rachel Smith
Date Deposited:	15 Mar 2011 15:06
Last Modified:	15 Dec 2022 01:32
URI:	https://ueaeprints.uea.ac.uk/id/eprint/26275
DOI:	10.1039/b702137b

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