Premium
Crystal Structure of 6, 6' ‐ Dihydroxy ‐ 2, 2' ‐ biphenyl ‐ 19 ‐ crown ‐ 5 ; Comparison of Some Structural Features among Related Ligands and Compounds
Author(s) -
Ochando L.E.,
Costero A.M.,
Monrabal E.,
Pitarch M.
Publication year - 2001
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200102)36:2<223::aid-crat223>3.0.co;2-x
Subject(s) - biphenyl , crystal structure , chemistry , hydrogen bond , crystallography , crystal (programming language) , crown (dentistry) , molecule , stereochemistry , computational chemistry , materials science , organic chemistry , computer science , composite material , programming language
It has been determined the crystal structure of 6,6'‐dihydroxy‐2,2'‐biphenyl‐19‐crown‐5, C 22 H 28 O 7 (1a). Likewise, it has been set up a comparison between the results and some features of this structure obtained by molecular mechanics calculations. Due the presence of a hydrogen bond, the crown oxygens 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.