1-[6-(3,5-Di-methyl-pyrazol-1-yl)-1,2,4,5-tetra-zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate.

Acta Crystallogr Sect E Struct Rep Online

School of Chemical Engineering, Northwest University, Xi'an 710069, Shaanxi, People's Republic of China.

Published: October 2013

In the title solvated salt, C8H12N9 (+)·ClO4 (-)·CH3OH, the dihedral angle between the tetra-zine and pyrazole rings is 26.05 (7)°. The two N atoms bonded to the 1,2,4,5-tetra-zine ring deviate from the plane defined by its four N atoms by 0.234 (2) and 0.186 (2) Å. There is an intra-molecular N-H⋯N hydrogen bond between the protonated guanidine fragment and one of the tetra-zine 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 mol-ecules.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793816PMC
http://dx.doi.org/10.1107/S1600536813020448DOI Listing

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