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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...

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Autores principales: Fridrichová, Michaela, Císařová, Ivana, Němec, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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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