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, 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: lariat ethers, C-bis-pivot lariat ethers, crown ethers, diaza macrocycle, bisphosphonates, crystal structure, X-RAY STRUCTURE, MACROCYCLIC LIGANDS, METAL-COMPLEXES, BINDING, RECOGNITION, DERIVATIVES, SETS
  • Ankara Üniversitesi Adresli: Evet

Özet

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.