Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



gk2585 scheme

Acta Cryst. (2013). E69, o1332    [ doi:10.1107/S1600536813020448 ]

1-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]guanidin-2-ium perchlorate methanol monosolvate

Y.-P. Hu, B. Yan, J. Li and H.-X. Ma

Abstract: In the title solvated salt, C8H12N9+·ClO4-·CH3OH, the dihedral angle between the tetrazine and pyrazole rings is 26.05 (7)°. The two N atoms bonded to the 1,2,4,5-tetrazine ring deviate from the plane defined by its four N atoms by 0.234 (2) and 0.186 (2) Å. There is an intramolecular N-H...N hydrogen bond between the protonated guanidine fragment and one of the tetrazine N atoms. In the crystal, two cations and two perchlorate anions are connected via N-H...O hydrogen bonds into centrosymmetric assemblies. These assemblies are further linked into a two-dimensional network parallel to (100) via bifurcated O-H...(N,N) hydrogen bonds formed with the bridging methanol molecules.


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