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Syntheses, crystal structures and Hirshfeld surface analyses of (3aR,4S,7R,7aS)-2-(perfluoro­pyridin-4-yl)-3a,4,7,7a-tetra­hydro-4,7-methano­iso­indole-1,3-dione and (3aR,4S,7R,7aS)-2-[(perfluoro­pyridin-4-yl)­oxy]-3a,4,7,7a-tetra­hydro-4,7-methano­iso­indole-1,3-dione

The syntheses and crystal structures of the title compounds, C(14)H(8)F(4)N(2)O(2) and C(14)H(8)F(4)N(2)O(3), are reported. In each crystal, the packing is driven by C—H⋯F inter­tactions, along with a variety of C—H⋯O, C—O⋯π, and C—F⋯π contacts. Hirshfeld surface analysis was conducted to aid in the...

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Detalles Bibliográficos
Autores principales: Peloquin, Andrew J., Balaich, Gary J., Iacono, Scott T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690472/
https://www.ncbi.nlm.nih.gov/pubmed/31417783
http://dx.doi.org/10.1107/S2056989019009769
Descripción
Sumario:The syntheses and crystal structures of the title compounds, C(14)H(8)F(4)N(2)O(2) and C(14)H(8)F(4)N(2)O(3), are reported. In each crystal, the packing is driven by C—H⋯F inter­tactions, along with a variety of C—H⋯O, C—O⋯π, and C—F⋯π contacts. Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: they showed that the largest contributions to the surface contacts arise from H⋯F/F⋯H inter­actions, followed by H⋯H and O⋯H/H⋯O.