THE CRYSTAL-STRUCTURE OF A HEPTIPTYCENE-CHLOROBENZENE CLATHRATE

Authors
VENUGOPALAN P BURGI HB FRANK NL BALDRIDGE KK SIEGEL JS
Citation
P. Venugopalan et al., THE CRYSTAL-STRUCTURE OF A HEPTIPTYCENE-CHLOROBENZENE CLATHRATE, Tetrahedron letters, 36(14), 1995, pp. 2419-2422
Citations number
13
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron letters → ACNP
ISSN journal
00404039
Volume
36
Issue
14
Year of publication
1995
Pages
2419 - 2422
Database
ISI
SICI code
0040-4039(1995)36:14<2419:TCOAHC>2.0.ZU;2-E
Abstract
Crystalline heptiptycene 1 forms a 1:1 complex with chlorobenzene in w hich the solvent molecule pack in channels between ribbons of molecule s of 1. The X-ray structure shows that 1 is distorted from D3h symmetr y in the packing, but show almost no bond localization in the central ring. The calculated molecular geometry of 1 (Hartree-Fock (6-31G(D)) and local density methods) compares well with the experimental one.