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1,1-Dimethylbiguanidium(2+) dinitrate
In the crystal structure of the title compound, C(4)H(13)N(5) (2+)·2NO(3) (−), the main intermolecular interactions are the N—H⋯O hydrogen bonds between the cationic amino groups and the O atoms of the nitrate ions. All amino H atoms and nitrate O atoms are involved in the three-dimensional hydrog...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254359/ https://www.ncbi.nlm.nih.gov/pubmed/22259464 http://dx.doi.org/10.1107/S1600536811051105 |
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author | Fridrichová, Michaela Císařová, Ivana Němec, Ivan |
author_facet | Fridrichová, Michaela Císařová, Ivana Němec, Ivan |
author_sort | Fridrichová, Michaela |
collection | PubMed |
description | In the crystal structure of the title compound, C(4)H(13)N(5) (2+)·2NO(3) (−), the main intermolecular interactions are the N—H⋯O hydrogen bonds between the cationic amino groups and the O atoms of the nitrate ions. All amino H atoms and nitrate O atoms are involved in the three-dimensional hydrogen-bond network. There are two graph-set motifs R (2) (2)(8), which include the amino groups connected to the N atoms in the biguanide 3-, 4- and 5-positions, and the O atoms of a nitrate ion. They are extended along the a axis. An O atom of the second nitrate ion is involved in a graph-set motif C(4) that is a part of a helix-like N—H⋯O⋯H—N—H⋯O⋯ chain oriented along the b axis. There are also two weak C—H⋯O interactions in the crystal structure. |
format | Online Article Text |
id | pubmed-3254359 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32543592012-01-18 1,1-Dimethylbiguanidium(2+) dinitrate Fridrichová, Michaela Císařová, Ivana Němec, Ivan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(4)H(13)N(5) (2+)·2NO(3) (−), the main intermolecular interactions are the N—H⋯O hydrogen bonds between the cationic amino groups and the O atoms of the nitrate ions. All amino H atoms and nitrate O atoms are involved in the three-dimensional hydrogen-bond network. There are two graph-set motifs R (2) (2)(8), which include the amino groups connected to the N atoms in the biguanide 3-, 4- and 5-positions, and the O atoms of a nitrate ion. They are extended along the a axis. An O atom of the second nitrate ion is involved in a graph-set motif C(4) that is a part of a helix-like N—H⋯O⋯H—N—H⋯O⋯ chain oriented along the b axis. There are also two weak C—H⋯O interactions in the crystal structure. International Union of Crystallography 2011-12-03 /pmc/articles/PMC3254359/ /pubmed/22259464 http://dx.doi.org/10.1107/S1600536811051105 Text en © Fridrichová et al. 2012 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 Fridrichová, Michaela Císařová, Ivana Němec, Ivan 1,1-Dimethylbiguanidium(2+) dinitrate |
title | 1,1-Dimethylbiguanidium(2+) dinitrate |
title_full | 1,1-Dimethylbiguanidium(2+) dinitrate |
title_fullStr | 1,1-Dimethylbiguanidium(2+) dinitrate |
title_full_unstemmed | 1,1-Dimethylbiguanidium(2+) dinitrate |
title_short | 1,1-Dimethylbiguanidium(2+) dinitrate |
title_sort | 1,1-dimethylbiguanidium(2+) dinitrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254359/ https://www.ncbi.nlm.nih.gov/pubmed/22259464 http://dx.doi.org/10.1107/S1600536811051105 |
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