Structure and conformation of 4,4′-bipyridine

Candan M., Eroǧlu S., ÖZBEY S., Kendi E., Kantarci Z.

Spectroscopy Letters, vol.32, no.1, pp.35-45, 1999 (SCI-Expanded) identifier

  • 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.