Structure and conformation of 4,4′-bipyridine
Spectroscopy Letters, vol.32, no.1, pp.35-45, 1999 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 32 Issue: 1
- Publication Date: 1999
- Doi Number: 10.1080/00387019909349965
- Journal Name: Spectroscopy Letters
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.35-45
- Eskisehir Osmangazi University Affiliated: No
Abstract
The title compound has been investigated by x-ray analysis and AMI semi-empirical quantum mechanical method. The geometry of the two molecules in the asymmetric unit is different in tenus of the torsion angle θ [ C4-C5-C6-C10 ] between the two pryidine rings which is -34.1 (2)° and -17.9 (2)° in molecule I and II respectively. The conformation of the energy profile showed that the minimum energy conformation has the torsion angle θ near 35°. The crystal structure is stabilized by C-H ... N hydrogen bonds. Copyright © 1999 by Marcel Dekker, Inc.