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Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)
The asymmetric unit of the title salt, [H(3)N(CH(2))(6)NH(3)][(HO)O(2)P(CH(2))(6)PO(2)(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2a and 2d...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209777/ https://www.ncbi.nlm.nih.gov/pubmed/28083141 http://dx.doi.org/10.1107/S2056989016019873 |
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author | Reiss, Guido J. van Megen, Martin Frank, Walter |
author_facet | Reiss, Guido J. van Megen, Martin Frank, Walter |
author_sort | Reiss, Guido J. |
collection | PubMed |
description | The asymmetric unit of the title salt, [H(3)N(CH(2))(6)NH(3)][(HO)O(2)P(CH(2))(6)PO(2)(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2a and 2d) of the space group P2(1)/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH(2) groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO(3)H) groups of the anions and the aminium groups of the cations form two-dimensional O—H⋯ and O—H⋯N hydrogen-bonded networks parallel to the ac plane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptors R (3) (3)(10) and R (5) (4)(12), respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid. |
format | Online Article Text |
id | pubmed-5209777 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52097772017-01-12 Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) Reiss, Guido J. van Megen, Martin Frank, Walter Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title salt, [H(3)N(CH(2))(6)NH(3)][(HO)O(2)P(CH(2))(6)PO(2)(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2a and 2d) of the space group P2(1)/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH(2) groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO(3)H) groups of the anions and the aminium groups of the cations form two-dimensional O—H⋯ and O—H⋯N hydrogen-bonded networks parallel to the ac plane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptors R (3) (3)(10) and R (5) (4)(12), respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid. International Union of Crystallography 2017-01-01 /pmc/articles/PMC5209777/ /pubmed/28083141 http://dx.doi.org/10.1107/S2056989016019873 Text en © Reiss et al. 2017 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 | Research Communications Reiss, Guido J. van Megen, Martin Frank, Walter Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title | Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title_full | Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title_fullStr | Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title_full_unstemmed | Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title_short | Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
title_sort | hydrogen bonds and van der waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209777/ https://www.ncbi.nlm.nih.gov/pubmed/28083141 http://dx.doi.org/10.1107/S2056989016019873 |
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