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Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1)
The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C(9)H(10)O(3)·C(12)H(12)N(2), (I), 2C(10)H(12)O(3)·C(12)H(12)N(2), (II), and 2C(11)H(14)O(3)·C(12)H(12)N(2), (III), have been determined at 93, 290 and 93 K, respectivel...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645034/ https://www.ncbi.nlm.nih.gov/pubmed/26594506 http://dx.doi.org/10.1107/S2056989015019349 |
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author | Tabuchi, Yohei Gotoh, Kazuma Ishida, Hiroyuki |
author_facet | Tabuchi, Yohei Gotoh, Kazuma Ishida, Hiroyuki |
author_sort | Tabuchi, Yohei |
collection | PubMed |
description | The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C(9)H(10)O(3)·C(12)H(12)N(2), (I), 2C(10)H(12)O(3)·C(12)H(12)N(2), (II), and 2C(11)H(14)O(3)·C(12)H(12)N(2), (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C—H⋯O hydrogen bonds, forming tape structures. |
format | Online Article Text |
id | pubmed-4645034 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46450342015-11-20 Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) Tabuchi, Yohei Gotoh, Kazuma Ishida, Hiroyuki Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C(9)H(10)O(3)·C(12)H(12)N(2), (I), 2C(10)H(12)O(3)·C(12)H(12)N(2), (II), and 2C(11)H(14)O(3)·C(12)H(12)N(2), (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C—H⋯O hydrogen bonds, forming tape structures. International Union of Crystallography 2015-10-17 /pmc/articles/PMC4645034/ /pubmed/26594506 http://dx.doi.org/10.1107/S2056989015019349 Text en © Tabuchi et al. 2015 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 Tabuchi, Yohei Gotoh, Kazuma Ishida, Hiroyuki Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title | Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title_full | Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title_fullStr | Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title_full_unstemmed | Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title_short | Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
title_sort | crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645034/ https://www.ncbi.nlm.nih.gov/pubmed/26594506 http://dx.doi.org/10.1107/S2056989015019349 |
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