2,4,6-TRIPHENYLPYRIDINE

Authors
ONDRACEK J NOVOTNY J PETRU M LHOTAK P KUTHAN J
Citation
J. Ondracek et al., 2,4,6-TRIPHENYLPYRIDINE, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 1809-1811
Citations number
10
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
50
Year of publication
1994
Part
11
Pages
1809 - 1811
Database
ISI
SICI code
0108-2701(1994)50:<1809:2>2.0.ZU;2-X
Abstract
The crystal and molecular structures of 2,4,6-triphenylpyrindine (C23H 17N) obtained by X-ray analysis are compared with those obtained by qu antum-chemical calculations based on the AM1 method. Both the theoreti cal and experimental results indicate that a disrotatory conformation is preferred. The AM1 results of the preferred conformation of a model compound (1,3,5-triphenylbenzene) are also reported.