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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3793816 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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