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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,...

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Autores principales: Song, Xue-gang, Su, Ping, Xu, Xing-man
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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)}.
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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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