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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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Autor principal: Liu, Ling-li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
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.
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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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