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

In the title solvated salt, C(8)H(12)N(9) (+)·ClO(4) (−)·CH(3)OH, 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 intra­molec...

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Detalles Bibliográficos
Autores principales: Hu, Yong-Peng, Yan, Biao, Li, Jie, Ma, Hai-Xia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793816/
https://www.ncbi.nlm.nih.gov/pubmed/24109403
http://dx.doi.org/10.1107/S1600536813020448
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author Hu, Yong-Peng
Yan, Biao
Li, Jie
Ma, Hai-Xia
author_facet Hu, Yong-Peng
Yan, Biao
Li, Jie
Ma, Hai-Xia
author_sort Hu, Yong-Peng
collection PubMed
description In the title solvated salt, C(8)H(12)N(9) (+)·ClO(4) (−)·CH(3)OH, 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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spelling pubmed-37938162013-10-09 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate Hu, Yong-Peng Yan, Biao Li, Jie Ma, Hai-Xia Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvated salt, C(8)H(12)N(9) (+)·ClO(4) (−)·CH(3)OH, 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. International Union of Crystallography 2013-07-27 /pmc/articles/PMC3793816/ /pubmed/24109403 http://dx.doi.org/10.1107/S1600536813020448 Text en © Hu et al. 2013 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
Hu, Yong-Peng
Yan, Biao
Li, Jie
Ma, Hai-Xia
1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title_full 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title_fullStr 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title_full_unstemmed 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title_short 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
title_sort 1-[6-(3,5-di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793816/
https://www.ncbi.nlm.nih.gov/pubmed/24109403
http://dx.doi.org/10.1107/S1600536813020448
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