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Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate
In the title molecular salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−), the phenolic proton of the starting picric acid has been transferred to the imidazole N atom. The nitro groups are twisted away from the benzene ring plane, making dihedral angles of 12.8 (2), 9.2 (4) and 29.3 (2)°. In the crystal,...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908564/ https://www.ncbi.nlm.nih.gov/pubmed/27308039 http://dx.doi.org/10.1107/S205698901600712X |
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author | Song, Xue-gang Su, Ping Xu, Xing-man |
author_facet | Song, Xue-gang Su, Ping Xu, Xing-man |
author_sort | Song, Xue-gang |
collection | PubMed |
description | In the title molecular salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−), the phenolic proton of the starting picric acid has been transferred to the imidazole N atom. The nitro groups are twisted away from the benzene ring plane, making dihedral angles of 12.8 (2), 9.2 (4) and 29.3 (2)°. In the crystal, the component ions are linked into chains along [010] via N—H⋯O and bifurcated N—H⋯(O,O) hydrogen bonds. These chains are further linked by weak C—H⋯O hydrogen bonds into a three-dimensional network. The complex three-dimensional network can be topologically simplified into a 4-connected uninodal net with the point symbol {4.8(5)}. |
format | Online Article Text |
id | pubmed-4908564 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085642016-06-15 Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate Song, Xue-gang Su, Ping Xu, Xing-man Acta Crystallogr E Crystallogr Commun Research Communications In the title molecular salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−), the phenolic proton of the starting picric acid has been transferred to the imidazole N atom. The nitro groups are twisted away from the benzene ring plane, making dihedral angles of 12.8 (2), 9.2 (4) and 29.3 (2)°. In the crystal, the component ions are linked into chains along [010] via N—H⋯O and bifurcated N—H⋯(O,O) hydrogen bonds. These chains are further linked by weak C—H⋯O hydrogen bonds into a three-dimensional network. The complex three-dimensional network can be topologically simplified into a 4-connected uninodal net with the point symbol {4.8(5)}. International Union of Crystallography 2016-05-04 /pmc/articles/PMC4908564/ /pubmed/27308039 http://dx.doi.org/10.1107/S205698901600712X Text en © Song et al. 2016 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 | Research Communications Song, Xue-gang Su, Ping Xu, Xing-man Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title | Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title_full | Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title_fullStr | Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title_full_unstemmed | Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title_short | Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate |
title_sort | hydrogen-bonded network in the salt 4-methyl-1h-imidazol-3-ium picrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908564/ https://www.ncbi.nlm.nih.gov/pubmed/27308039 http://dx.doi.org/10.1107/S205698901600712X |
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