A Macrobicyclic Thiophosphonamide Polyether Ligand

Two crystal structures of a macrobicyclic oligoether compound, 31-phenyl-8,11,14,17,20-pentoxa-1,27-diaza-31-phosphatetracyclo[25.3.1.0(2,7).0(21,26)]henitriaconta-2,4,6,21,23,25-hexaene 31-sulfide, C29H35N2O5PS, (1), containing a thiophosphonamide group, are described. The molecules in the two crystals, (I) and (II), exhibit very similar conformations except for a disordered part in crystal form (II). A macrocyclic cavity appears in both conformations, although some O atoms of the O(CH2CH2O)(4) bridge are turned outwards. The propyl bridge and the phenyl group of the diazaphosphorinane moiety lie close to the sides of the macrocycle. The thiophosphoryl group is directed outwards.