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1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1)
The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) molecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009248/ https://www.ncbi.nlm.nih.gov/pubmed/21589066 http://dx.doi.org/10.1107/S1600536810041668 |
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author | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_facet | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_sort | Arman, Hadi D. |
collection | PubMed |
description | The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) molecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3 (2) and 54.6 (2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustained in the crystal by C—H⋯F and π–π interactions [ring centroid(pyridyl)–ring centroid(benzene) = 3.678 (3) Å]. |
format | Text |
id | pubmed-3009248 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30092482010-12-30 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) molecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3 (2) and 54.6 (2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustained in the crystal by C—H⋯F and π–π interactions [ring centroid(pyridyl)–ring centroid(benzene) = 3.678 (3) Å]. International Union of Crystallography 2010-10-23 /pmc/articles/PMC3009248/ /pubmed/21589066 http://dx.doi.org/10.1107/S1600536810041668 Text en © Arman et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title_full | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title_fullStr | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title_full_unstemmed | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title_short | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
title_sort | 1,2,4,5-tetrafluoro-3,6-diiodobenzene–2,3-bis(pyridin-2-yl)pyrazine (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009248/ https://www.ncbi.nlm.nih.gov/pubmed/21589066 http://dx.doi.org/10.1107/S1600536810041668 |
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