WEAK HYDROGEN-BONDING .3. A BENZYL GROUP ACCEPTING EQUALLY STRONG HYDROGEN-BONDS FROM O-H AND C-H DONORS - 5-ETHYNYL-5H-DIBENZO[A,D]CYCLOHEPTEN-5-OL

Citation
T. Steiner et al., WEAK HYDROGEN-BONDING .3. A BENZYL GROUP ACCEPTING EQUALLY STRONG HYDROGEN-BONDS FROM O-H AND C-H DONORS - 5-ETHYNYL-5H-DIBENZO[A,D]CYCLOHEPTEN-5-OL, Perkin transactions. 2, (1), 1996, pp. 67-71
Citations number
21
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
ISSN journal
03009580
Issue
1
Year of publication
1996
Pages
67 - 71
Database
ISI
SICI code
0300-9580(1996):1<67:WH.ABG>2.0.ZU;2-6
Abstract
In the crystal structure of the title compound, one of the benzyl grou ps accepts hydrogen bonds from a hydroxy and an ethynyl group, one to each face of the ring. For both hydrogen bonds, energies around -1.3 k cal mol(-1) have been calculated. The bond donated by the hydroxy grou p has unusual geometry and is directed almost linearly at a C atom wit h H...C = 2.36 Angstrom.