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)

HÖKELEK T., Bilge S., Akduran N., Kiliç Z.

Crystal Research and Technology, cilt.36, sa.4-5, ss.509-515, 2001 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 36 Sayı: 4-5
  • Basım Tarihi: 2001
  • Dergi Adı: Crystal Research and Technology
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.509-515
  • Anahtar Kelimeler: Bisphosphonates, C-bis-pivot lariat ethers, Crown ethers, Crystal structure, Diaza macrocycle, Lariat ethers
  • Ankara Üniversitesi Adresli: Evet

Özet

The-title compound (C31H35N2O13P3) crystallizes in the triclinic space group Pl̄ 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.