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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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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
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author Noland, Wayland E.
Britton, Doyle
Sutton, Gregory K.
Schneerer, Andrew K.
Tritch, Kenneth J.
author_facet Noland, Wayland E.
Britton, Doyle
Sutton, Gregory K.
Schneerer, Andrew K.
Tritch, Kenneth J.
author_sort Noland, Wayland E.
collection PubMed
description 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).
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spelling pubmed-59563152018-05-30 Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide Noland, Wayland E. Britton, Doyle Sutton, Gregory K. Schneerer, Andrew K. Tritch, Kenneth J. Acta Crystallogr E Crystallogr Commun Research Communications 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). International Union of Crystallography 2018-01-09 /pmc/articles/PMC5956315/ /pubmed/29850032 http://dx.doi.org/10.1107/S2056989017018217 Text en © Noland et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Noland, Wayland E.
Britton, Doyle
Sutton, Gregory K.
Schneerer, Andrew K.
Tritch, Kenneth J.
Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title_full Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title_fullStr Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title_full_unstemmed Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title_short Crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
title_sort crystal structures of 2,4,6-tri­iodo­benzo­nitrile and 2,4,6-tri­iodo­phenyl isocyanide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956315/
https://www.ncbi.nlm.nih.gov/pubmed/29850032
http://dx.doi.org/10.1107/S2056989017018217
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