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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...

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Autores principales: Quentin, Jay, Reinheimer, Eric W., MacGillivray, Leonard R.
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
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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).
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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
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