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Stoichiometric and polymorphic salt of imidazolium picrate monohydrate
The asymmetric unit of the title co-crystal salt, 1H-imidazol-3-ium 2,4,6-trinitrophenolate monohydrate, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−)·H(2)O, contains one imidazolium cation, one picrate anion and one solvent water molecule of crystallization. The phenolic proton has been transferred to a...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730246/ https://www.ncbi.nlm.nih.gov/pubmed/29250409 http://dx.doi.org/10.1107/S2056989017016401 |
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author | Liu, Ling-li |
author_facet | Liu, Ling-li |
author_sort | Liu, Ling-li |
collection | PubMed |
description | The asymmetric unit of the title co-crystal salt, 1H-imidazol-3-ium 2,4,6-trinitrophenolate monohydrate, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−)·H(2)O, contains one imidazolium cation, one picrate anion and one solvent water molecule of crystallization. The phenolic proton has been transferred to an imidazole N atom. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network which is further consolidated by weak C—H⋯O hydrogen bonds. In addition, π–π stacking interactions occur between pairs of imidazolium cations and picrate anions. If only the classical N—H⋯O and O—H⋯O hydrogen bonds are considered, the component ions are linked into a three-dimensional threefold interpenetrating network of the topological type utp [or (10,3)-d]. Hirshfeld surface analysis indicates the crystal structure is mainly stabilized by H⋯·O contacts of the hydrogen bonds. |
format | Online Article Text |
id | pubmed-5730246 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302462017-12-15 Stoichiometric and polymorphic salt of imidazolium picrate monohydrate Liu, Ling-li Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title co-crystal salt, 1H-imidazol-3-ium 2,4,6-trinitrophenolate monohydrate, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (−)·H(2)O, contains one imidazolium cation, one picrate anion and one solvent water molecule of crystallization. The phenolic proton has been transferred to an imidazole N atom. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network which is further consolidated by weak C—H⋯O hydrogen bonds. In addition, π–π stacking interactions occur between pairs of imidazolium cations and picrate anions. If only the classical N—H⋯O and O—H⋯O hydrogen bonds are considered, the component ions are linked into a three-dimensional threefold interpenetrating network of the topological type utp [or (10,3)-d]. Hirshfeld surface analysis indicates the crystal structure is mainly stabilized by H⋯·O contacts of the hydrogen bonds. International Union of Crystallography 2017-11-17 /pmc/articles/PMC5730246/ /pubmed/29250409 http://dx.doi.org/10.1107/S2056989017016401 Text en © Ling-li Liu 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 Liu, Ling-li Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title | Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title_full | Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title_fullStr | Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title_full_unstemmed | Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title_short | Stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
title_sort | stoichiometric and polymorphic salt of imidazolium picrate monohydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730246/ https://www.ncbi.nlm.nih.gov/pubmed/29250409 http://dx.doi.org/10.1107/S2056989017016401 |
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