Structure and conformation of 4,4′-bipyridine

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

Spectroscopy Letters, cilt.32, sa.1, ss.35-45, 1999 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 32 Sayı: 1
  • Basım Tarihi: 1999
  • Doi Numarası: 10.1080/00387019909349965
  • Dergi Adı: Spectroscopy Letters
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.35-45
  • Eskişehir Osmangazi Üniversitesi Adresli: Hayır

Özet

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.