Synthesis, characterization, structure, ab initio and DFT calculations of 2-amino-N-(3-phenylprop-2-enylidene)aniline

Aliakbar Dehno Khalaji, Hossein Mighani, Kazuma Gotoh, Hiroyuki Ishida

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


New Schiff base compound 2-amino-N-(3-phenylprop-2-enylidene)aniline, 1, was prepared by condensation of cinnamaldehyde with o-phenylenediamine and characterized by elemental analyses, UV-Vis and FT-IR spectroscopy. The crystal structure of 1 was determined by X-ray crystallography from single-crystal data and displays a trans configuration about the C=N double bond. In the crystal structure of 1, the molecule is located on an inversion center, so that it is disordered around the center of central C-C bond. The results from both the experimental and theoretical calculations are compared in this paper.

Original languageEnglish
Pages (from-to)1154-1157
Number of pages4
JournalJournal of Chemical Crystallography
Issue number8
Publication statusPublished - Aug 2011


  • Crystallography
  • Disordered
  • Schiff base
  • Spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics


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