PARTIAL BOND LOCALIZATION IN THE CRYSTAL-STRUCTURE OF TRISBICYCLO[2.2.1]HEPTABENZENE AND ITS EFFECT ON CR-ARENE DYNAMICS

Authors
FRANK NL BALDRIDGE KK GANTZEL P SIEGEL JS
Citation
Nl. Frank et al., PARTIAL BOND LOCALIZATION IN THE CRYSTAL-STRUCTURE OF TRISBICYCLO[2.2.1]HEPTABENZENE AND ITS EFFECT ON CR-ARENE DYNAMICS, Tetrahedron letters, 36(25), 1995, pp. 4389-4392
Citations number
25
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron letters → ACNP
ISSN journal
00404039
Volume
36
Issue
25
Year of publication
1995
Pages
4389 - 4392
Database
ISI
SICI code
0040-4039(1995)36:25<4389:PBLITC>2.0.ZU;2-W
Abstract
Trisbicyclo[2.2.1]heptabenzene 3 crystallizes in space group P2(1)/c w ith cell dimensions a = 5.992 Angstrom, b = 17.288 Angstrom, c = 14.84 3 Angstrom. Mild bond localization is seen in the benzene ring (d(exo( ave))= 1.379 Angstrom; d(endo(ave)) = 1.417 Angstrom) and the annelati on angle C-(ar)-C-(ar)-C-(CH) is constricted to 106.5 degrees. The str ucture supports a bicyclic strain effect on the bond localization in b enzenoid aromatics.