X-ray diffraction and C-13 solid-state NMR studies of the dimethylformamide solvate of tetra(C-undecyl)calix[4]resorcinarene

Citation
M. Pietraszkiewicz et al., X-ray diffraction and C-13 solid-state NMR studies of the dimethylformamide solvate of tetra(C-undecyl)calix[4]resorcinarene, J PHYS CH B, 104(9), 2000, pp. 1921-1926
Citations number
26
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
1520-6106 → ACNP
Volume
104
Issue
9
Year of publication
2000
Pages
1921 - 1926
Database
ISI
SICI code
1520-6106(20000309)104:9<1921:XDACSN>2.0.ZU;2-4
Abstract
Lipophilic tetra(C-undecyl)calix [4] resorcinarene obtained from resorcinol and lauryl aldehyde forms solvates with many organic solvents. Particularl y good quality crystals are obtained from dimethylformamide. Single-crystal X-ray diffraction (XRD) analysis of the solvate shows that the calix[4]res orcinarene molecules form centrosymmetric dimers held by van der Waals inte ractions of the C-undecyl aliphatic chains. The dimers are associated into layers with hydroxyl groups at the surfaces. Three types of solvent molecul es are embedded in the crystal lattice: disordered isolated molecules locat ed just above the cavities formed by the resorcinol units, clusters of four DMF molecules located between the calixarene layers, and single DMF molecu les located inside: the layers close to the alkyl chains. The solvent molec ules join the layers of calix[4]resorcinarenes by means of various hydrogen bonds. The C-13 CP/MAS spectra are in agreement with the XRD results.