| Literature DB >> 24096515 |
Andréanne Bolduc1, Stéphane Dufresne, W G Skene.
Abstract
The title compound, C16H12N4S, forms a three-dimensional layered network structure via intermolecular hydrogen bonding and π-stacking. The azomethine molecule adopts the thermodynamically stable E regioisomer and the pyridine substituents are antiperiplanar. The mean planes of the pyridine rings and the azomethine group to which they are connected are twisted by 27.27 (5) and 33.60 (5)°. The electrochemical energy gap of 2.3 eV based on the HOMO-LUMO energy difference is in agreement with the spectroscopically derived value.Entities:
Keywords: azomethines; crystal structure; electrochemical properties; hydrogen bonding; optical properties; π-stacking interactions
Year: 2013 PMID: 24096515 DOI: 10.1107/S0108270113024566
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172