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Probing the Effect of Halogen Substituents (Br, Cl, and F) on the Non-covalent Interactions in 1-(Adamantan-1-yl)-3-arylthiourea Derivatives: A Theoretical Study

[Image: see text] The effect of halogen substituents (X = Br, Cl, and F) on the crystal packing and intra- and intermolecular interactions in four adamantane–thiourea hybrid derivatives is investigated using different theoretical tools. The bromo and chloro derivatives exhibit 3D isostructurality as...

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Detalles Bibliográficos
Autores principales: Al-Wahaibi, Lamya H., Grandhi, Divya Sri, Tawfik, Samar S., Al-Shaalan, Nora H., Elmorsy, Mohammed A., El-Emam, Ali A., Percino, M. Judith, Thamotharan, Subbiah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7905817/
https://www.ncbi.nlm.nih.gov/pubmed/33644590
http://dx.doi.org/10.1021/acsomega.0c05793