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

ABSTRACT: 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.

SUBMITTER: Hu YP

PROVIDER: S-EPMC3793816 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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

Hu Yong-Peng YP Yan Biao B Li Jie J Ma Hai-Xia HX

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

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 centrosym ...[more]

PMID: 24109403

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