Crystal Structure of 6,6 '-dihydroxy-2,2 '-biphenyl-19-crown-5 - Comparison of some structural features among related ligands and compounds

Authors
Ochando, LE Costero, AM Monrabal, E Pitarch, M
Citation
Le. Ochando et al., Crystal Structure of 6,6 '-dihydroxy-2,2 '-biphenyl-19-crown-5 - Comparison of some structural features among related ligands and compounds, CRYST RES T, 36(2), 2001, pp. 223-230
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CRYSTAL RESEARCH AND TECHNOLOGY
ISSN journal
02321300 → ACNP
Volume
36
Issue
2
Year of publication
2001
Pages
223 - 230
Database
ISI
SICI code
0232-1300(2001)36:2<223:CSO6''>2.0.ZU;2-L
Abstract
It has been determined the crystal structure of 6,6'-dihydroxy-2,2'-bipheny l-19-crown-5, C22H28O7 (1a). Likewise, it has been set up a comparison betw een the results and some features of this structure obtained by molecular m echanics calculations. Due the presence of a hydrogen bond, the crown oxyge ns have not a geometrical disposition to lead its electronic pairs into the cavity and therefore the system complexation constant decreases, compared to some related ligands and compounds (COSTERO et al., 1996a, 1996b and 199 6c; OCHANDO et al., 1996).