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Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide

The title crystals, C(7)H(2)I(3)N, are isomorphous. Both mol­ecules lie across two crystallographic mirror planes and a twofold axis. The principal supra­molecular inter­action is centric R (2) (2)(10) CN/NC⋯I short contacts involving both ortho I atoms, with two contacts bis­ecting each cyano and i...

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Detalles Bibliográficos
Autores principales: Noland, Wayland E., Britton, Doyle, Sutton, Gregory K., Schneerer, Andrew K., Tritch, Kenneth J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956315/
https://www.ncbi.nlm.nih.gov/pubmed/29850032
http://dx.doi.org/10.1107/S2056989017018217
Descripción
Sumario:The title crystals, C(7)H(2)I(3)N, are isomorphous. Both mol­ecules lie across two crystallographic mirror planes and a twofold axis. The principal supra­molecular inter­action is centric R (2) (2)(10) CN/NC⋯I short contacts involving both ortho I atoms, with two contacts bis­ecting each cyano and iso­cyano group. These form ribbons along [010] and give rise to a planar sheet structure parallel to (100). All pairs of adjacent sheets have centric stacking, a mode not previously reported for sheets of this type. This study completes the series of homo-2,4,6-trihalobenzo­nitriles, in which I atoms give the strongest CN⋯X and NC⋯X inter­actions (X = F, Cl, Br, I).