Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 509 - Abstract -

T. Hökelek, S. Bilge*, N. Akduran, Z. Kiliç*

Hacettepe University, Department of Physics, Beytepe-Ankara, Turkey
*Ankara University, Department of Chemistry, Tandogan-Ankara, Turkey

Crystal Structure of 15,21-Bis(diethoxyphosphinoyl)-2,5,8-trioxa-16,20-diazatricyclo- [20.4.0.09,14] hexacosa-9,11,13,22,24,26(1)-hexaene-Ethylphosphonic Acid-Water (1/1/1)

The title compound (C31H55N2O13P3) crystallizes in the triclinic space group P-1 with a=12.676(4) Å, b=13.733(3)Å, c=14.042(2)Å, α =67.94(4)°, β =77.15(4)°, γ =61.95(4)°, V=1996.2(8)Å3, Z=2, Dx=1.259 g.cm-3. The structure was solved by direct methods and refined by full-matrix least-squares method (R=0.055). The macrocyclic ligand is an 18-membered lariat ether containing two N and three etheral O atoms and two phosphonate side groups. The title compound consists of the macrocyclic ligand, one ethyl phosphonic acid and one water molecule, as a whole. In the macrocyclic ring, the mean N...O distance is 5.481(6) Å. The relative macrocyclic inner hole size, estimated as twice the mean distance of the donor atoms from their centroid is approximately 2.29 Å.

Keywords: lariat ethers, C-bis-pivot lariat ethers, crown ethers, diaza macrocycle, bisphosphonates, crystal structure


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