Cargando…
X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers
The molecular structure of trans-bis(pyridin-3-yl)ethylene (3,3′-bpe), C(12)H(10)N(2), as determined by single-crystal X-ray diffraction is reported. The molecule self-assembles into two dimensional arrays by a combination of C—H⋯N hydrogen bonds and edge-to-face C—H⋯π interactions that stack i...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784657/ https://www.ncbi.nlm.nih.gov/pubmed/33520269 http://dx.doi.org/10.1107/S2056989020015303 |
_version_ | 1783632335123513344 |
---|---|
author | Quentin, Jay Reinheimer, Eric W. MacGillivray, Leonard R. |
author_facet | Quentin, Jay Reinheimer, Eric W. MacGillivray, Leonard R. |
author_sort | Quentin, Jay |
collection | PubMed |
description | The molecular structure of trans-bis(pyridin-3-yl)ethylene (3,3′-bpe), C(12)H(10)N(2), as determined by single-crystal X-ray diffraction is reported. The molecule self-assembles into two dimensional arrays by a combination of C—H⋯N hydrogen bonds and edge-to-face C—H⋯π interactions that stack in a herringbone arrangement perpendicular to the crystallographic c-axis. The supramolecular forces that direct the packing of 3,3′-bpe as well as its packing assembly within the crystal are also compared to those observed within the structures of the other symmetrical isomers trans-1,2-bis(n-pyridyl)ethylene (n,n ′-bpe, where n = n′ = 2 or 4). |
format | Online Article Text |
id | pubmed-7784657 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-77846572021-01-29 X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers Quentin, Jay Reinheimer, Eric W. MacGillivray, Leonard R. Acta Crystallogr E Crystallogr Commun Research Communications The molecular structure of trans-bis(pyridin-3-yl)ethylene (3,3′-bpe), C(12)H(10)N(2), as determined by single-crystal X-ray diffraction is reported. The molecule self-assembles into two dimensional arrays by a combination of C—H⋯N hydrogen bonds and edge-to-face C—H⋯π interactions that stack in a herringbone arrangement perpendicular to the crystallographic c-axis. The supramolecular forces that direct the packing of 3,3′-bpe as well as its packing assembly within the crystal are also compared to those observed within the structures of the other symmetrical isomers trans-1,2-bis(n-pyridyl)ethylene (n,n ′-bpe, where n = n′ = 2 or 4). International Union of Crystallography 2020-11-24 /pmc/articles/PMC7784657/ /pubmed/33520269 http://dx.doi.org/10.1107/S2056989020015303 Text en © Quentin et al. 2020 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Quentin, Jay Reinheimer, Eric W. MacGillivray, Leonard R. X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title | X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title_full | X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title_fullStr | X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title_full_unstemmed | X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title_short | X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
title_sort | x-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784657/ https://www.ncbi.nlm.nih.gov/pubmed/33520269 http://dx.doi.org/10.1107/S2056989020015303 |
work_keys_str_mv | AT quentinjay xraycrystalstructureoftransbispyridin3ylethylenecomparingthesupramolecularstructuralfeaturesamongthesymmetricalbisnpyridylethylenesn23or4constitutionalisomers AT reinheimerericw xraycrystalstructureoftransbispyridin3ylethylenecomparingthesupramolecularstructuralfeaturesamongthesymmetricalbisnpyridylethylenesn23or4constitutionalisomers AT macgillivrayleonardr xraycrystalstructureoftransbispyridin3ylethylenecomparingthesupramolecularstructuralfeaturesamongthesymmetricalbisnpyridylethylenesn23or4constitutionalisomers |