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Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br⋯π interaction in an ebselen derivative via experimental and theoretical electron-density analysis

In this study, the nature and characteristics of a short Br⋯π interaction observed in an ebselen derivative, 2-(2-bromophenyl)benzo[d][1,2]selenazol-3(2H)-one, has been explored. The electronic nature of this Br⋯π interaction was investigated via high-resolution X-ray diffraction and periodic densit...

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Detalles Bibliográficos
Autores principales: Shukla, Rahul, Claiser, Nicolas, Souhassou, Mohamed, Lecomte, Claude, Balkrishna, Shah Jaimin, Kumar, Sangit, Chopra, Deepak
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6126650/
https://www.ncbi.nlm.nih.gov/pubmed/30224967
http://dx.doi.org/10.1107/S2052252518011041