Hexane-1,6-diammonium dinitrate

The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (−), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro­carbon chain. This is evident from the torsion angle of −64.0°(2) along the N—C—C—C bond and thse torsion...

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Detalles Bibliográficos
Autores principales: van Blerk, Charmaine, Kruger, Gert J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977696/
https://www.ncbi.nlm.nih.gov/pubmed/21583832
http://dx.doi.org/10.1107/S1600536809012963
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author van Blerk, Charmaine
Kruger, Gert J.
author_facet van Blerk, Charmaine
Kruger, Gert J.
author_sort van Blerk, Charmaine
collection PubMed
description The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (−), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro­carbon chain. This is evident from the torsion angle of −64.0°(2) along the N—C—C—C bond and thse torsion angle of −67.1°(2) along the C—C—C—C bonds. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure, with each H atom on the ammonium group exhibiting bifurcated inter­actions to the nitrate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 26-membered ring with graph-set notation R (4) (4)(26) is observed.
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spelling pubmed-29776962010-12-30 Hexane-1,6-diammonium dinitrate van Blerk, Charmaine Kruger, Gert J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (−), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro­carbon chain. This is evident from the torsion angle of −64.0°(2) along the N—C—C—C bond and thse torsion angle of −67.1°(2) along the C—C—C—C bonds. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure, with each H atom on the ammonium group exhibiting bifurcated inter­actions to the nitrate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 26-membered ring with graph-set notation R (4) (4)(26) is observed. International Union of Crystallography 2009-04-08 /pmc/articles/PMC2977696/ /pubmed/21583832 http://dx.doi.org/10.1107/S1600536809012963 Text en © Blerk and Kruger 2009 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 Organic Papers
van Blerk, Charmaine
Kruger, Gert J.
Hexane-1,6-diammonium dinitrate
title Hexane-1,6-diammonium dinitrate
title_full Hexane-1,6-diammonium dinitrate
title_fullStr Hexane-1,6-diammonium dinitrate
title_full_unstemmed Hexane-1,6-diammonium dinitrate
title_short Hexane-1,6-diammonium dinitrate
title_sort hexane-1,6-diammonium dinitrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977696/
https://www.ncbi.nlm.nih.gov/pubmed/21583832
http://dx.doi.org/10.1107/S1600536809012963
work_keys_str_mv AT vanblerkcharmaine hexane16diammoniumdinitrate
AT krugergertj hexane16diammoniumdinitrate

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