Crystal structure of 15,21-bis(diethoxyphosphinoyl)-2,5,8-trioxa-16,20-diazatricyclo-[20.4.0.0(9,14)] hexacosa-9,11,13,22,24,26(1)-hexaene-ethylphosphonic acid-water (1/1/1)


Hokelek T., BILGE S., AKDURAN N., KILIC Z.

CRYSTAL RESEARCH AND TECHNOLOGY, vol.36, pp.509-515, 2001 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 36
  • Publication Date: 2001
  • Journal Name: CRYSTAL RESEARCH AND TECHNOLOGY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.509-515
  • Hacettepe University Affiliated: Yes

Abstract

The title compound (C31H55N2O13P3) crystallizes in the triclinic space group P (1) over bar with a=12.676(4) Angstrom, b=13.733(3)Angstrom, c=14.042(2)Angstrom, alpha =67.94(4)degrees, beta =77.15(4)degrees, gamma =61.95(4)degrees, V=1996.2(8)Angstrom (3), Z=2, D-x=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) Angstrom. The relative macrocyclic inner hole size, estimated as twice the mean distance of the donor atoms from their centroid is approximately 2.29 Angstrom.