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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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). |
format | Online Article Text |
id | pubmed-5956315 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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