{"title":"The six-membered-ring azomethine N-((E)-{5-[(E)-(pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine.","authors":"Andréanne Bolduc, Stéphane Dufresne, W G Skene","doi":"10.1107/S0108270113024566","DOIUrl":null,"url":null,"abstract":"<p><p>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. </p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":null,"pages":null},"PeriodicalIF":0.8000,"publicationDate":"2013-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113024566","citationCount":"3","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica. Section C, Crystal structure communications","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108270113024566","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2013/9/28 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 3
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.
期刊介绍：
Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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