Weak noncovalent interactions in two positional isomers of acrylonitrile derivatives: inputs from PIXEL energy, Hirshfeld surface and QTAIM analyses

A single crystal X-ray diffraction analysis was performed on two positional isomers (m-tolyl and p-tolyl) of acrylonitrile derivatives, namely, (Z)-3-(4-(pyridin-2-yl) phenyl)-2-(m-tolyl) acrylonitrile (1) and (Z)-3-(4-(pyridin-2-yl)phenyl)-2-(p-tolyl) acrylonitrile (2). Compound 1 crystallized in t...

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Detalles Bibliográficos
Autores principales: Percino, M. Judith, Udayakumar, Mani, Cerón, Margarita, Pérez-Gutiérrez, Enrique, Venkatesan, Perumal, Thamotharan, Subbiah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10338114/
https://www.ncbi.nlm.nih.gov/pubmed/37448855
http://dx.doi.org/10.3389/fchem.2023.1209428

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