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1,1-Dimethyl-biguanidium(2+) dinitrate.


ABSTRACT: In the crystal structure of the title compound, C(4)H(13)N(5) (2+)·2NO(3) (-), the main inter-molecular inter-actions 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 inter-actions in the crystal structure.

SUBMITTER: Fridrichova M 

PROVIDER: S-EPMC3254359 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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1,1-Dimethyl-biguanidium(2+) dinitrate.

Fridrichová Michaela M   Císařová Ivana I   Němec Ivan I  

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1


In the crystal structure of the title compound, C(4)H(13)N(5) (2+)·2NO(3) (-), the main inter-molecular inter-actions 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  ...[more]

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