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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...

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Autores principales: Reiss, Guido J., van Megen, Martin, Frank, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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