User menu

Accès à distance ? S'identifier sur le proxy UCLouvain

1:1 molecular complex between water and a macrocyclic crown phosphonamide

Primary tabs

Declercq, Jean-Paul [UCL] Delangle, P Dutasta, JP. Vanoostenryck, L. Tinant, Bernard [UCL]

The 21-membered macrocycle 3-methyl-11,14,17,20-tetraoxa-2,4-diaza-3-phosphatricyclo[20.3.1.1(5,9)] heptacosa-1(26),5,7,9(27),22,24-hexaene 3-sulfide and water form a 1:1 inclusion compound, C21H29N2O4PS.H2O. The structure reveals host-guest hydrogen bonding with N and O binding sites. One NH ... OH2 hydrogen bond and close contacts with three consecutive O atoms of the polyether chain maintain the water molecule inside the macrocyclic cavity. The thiophosphoryl group is directed outward and the -OCH2CH2O- units adopt the (ag(+/-)a) conformation. The crystal is composed of centrosymmetrically related dimeric units of the complex.

Document type Article de périodique (Journal article) – Article de recherche
Publication date 1997
Language Anglais
Journal information "Acta Crystallographica. Section C: Crystal Structure Communications" - Vol. 53, p. 1484-1486 (1997)
Peer reviewed yes
Publisher Munksgaard Int Publ Ltd (Copenhagen)
issn 0108-2701
e-issn 1600-5759
Publication status Publié
Affiliation UCL
Links
Bibliographic reference Declercq, Jean-Paul ; Delangle, P ; Dutasta, JP. ; Vanoostenryck, L. ; Tinant, Bernard. 1:1 molecular complex between water and a macrocyclic crown phosphonamide. In: Acta Crystallographica. Section C: Crystal Structure Communications, Vol. 53, p. 1484-1486 (1997)
Permanent URL http://hdl.handle.net/2078.1/45897