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Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate
The structure of the title co-crystal, C(24)H(16)N(6)·4.75H(2)O(2), consists of a 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine coformer and hydrogen peroxide solvent molecules in an overall ratio of 1:4.75. Three of the six H(2)O(2) molecules modelled in the structure were found to be cross-orientatio...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683516/ https://www.ncbi.nlm.nih.gov/pubmed/29152376 http://dx.doi.org/10.1107/S2056989017015328 |
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author | Navasardyan, Mger A. Bezzubov, Stanislav I. Kuz’mina, Lyudmila G. Prikhodchenko, Petr V. Churakov, Andrei V. |
author_facet | Navasardyan, Mger A. Bezzubov, Stanislav I. Kuz’mina, Lyudmila G. Prikhodchenko, Petr V. Churakov, Andrei V. |
author_sort | Navasardyan, Mger A. |
collection | PubMed |
description | The structure of the title co-crystal, C(24)H(16)N(6)·4.75H(2)O(2), consists of a 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine coformer and hydrogen peroxide solvent molecules in an overall ratio of 1:4.75. Three of the six H(2)O(2) molecules modelled in the structure were found to be cross-orientationally disordered over two positions with occupancy ratios 0.846 (9):0.154 (9), 0.75 (2):0.25 (2), and 0.891 (9):0.109 (9). In the crystal, all of the peroxide molecules are linked into hydrogen-bonded chains that propagate parallel to the a axis. These chains are further linked by O—H⋯N hydrogen bonds to the pyridine groups of the main molecule. |
format | Online Article Text |
id | pubmed-5683516 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-56835162017-11-17 Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate Navasardyan, Mger A. Bezzubov, Stanislav I. Kuz’mina, Lyudmila G. Prikhodchenko, Petr V. Churakov, Andrei V. Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title co-crystal, C(24)H(16)N(6)·4.75H(2)O(2), consists of a 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine coformer and hydrogen peroxide solvent molecules in an overall ratio of 1:4.75. Three of the six H(2)O(2) molecules modelled in the structure were found to be cross-orientationally disordered over two positions with occupancy ratios 0.846 (9):0.154 (9), 0.75 (2):0.25 (2), and 0.891 (9):0.109 (9). In the crystal, all of the peroxide molecules are linked into hydrogen-bonded chains that propagate parallel to the a axis. These chains are further linked by O—H⋯N hydrogen bonds to the pyridine groups of the main molecule. International Union of Crystallography 2017-10-31 /pmc/articles/PMC5683516/ /pubmed/29152376 http://dx.doi.org/10.1107/S2056989017015328 Text en © Navasardyan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Navasardyan, Mger A. Bezzubov, Stanislav I. Kuz’mina, Lyudmila G. Prikhodchenko, Petr V. Churakov, Andrei V. Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title | Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title_full | Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title_fullStr | Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title_full_unstemmed | Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title_short | Crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
title_sort | crystal structure of 2,3,5,6-tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683516/ https://www.ncbi.nlm.nih.gov/pubmed/29152376 http://dx.doi.org/10.1107/S2056989017015328 |
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