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Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]

The title mol­ecular salt, (C(7)H(11)N(2))(2)[Hg(2)Cl(6)], crystallizes with two 4-(di­methyl­amino)­pyridinium cations (A and B) and two half hexa­chlorido­dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r....

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Autores principales: Garci, Fatma, Ferjani, Hela, Chebbi, Hammouda, Ben Jomaa, Mariem, Zid, Mohamed Faouzi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829733/
https://www.ncbi.nlm.nih.gov/pubmed/31709076
http://dx.doi.org/10.1107/S2056989019013124
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author Garci, Fatma
Ferjani, Hela
Chebbi, Hammouda
Ben Jomaa, Mariem
Zid, Mohamed Faouzi
author_facet Garci, Fatma
Ferjani, Hela
Chebbi, Hammouda
Ben Jomaa, Mariem
Zid, Mohamed Faouzi
author_sort Garci, Fatma
collection PubMed
description The title mol­ecular salt, (C(7)H(11)N(2))(2)[Hg(2)Cl(6)], crystallizes with two 4-(di­methyl­amino)­pyridinium cations (A and B) and two half hexa­chlorido­dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The di­methyl­amino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(di­methyl­amino)­pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H⋯Cl hydrogen bonds and adjacent layers are linked by C—H⋯Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter­molecular inter­actions, but also serve to further differentiate the weaker inter­molecular inter­actions formed by the organic cations and inorganic anions, such as π–π and Cl⋯Cl inter­actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy.
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spelling pubmed-68297332019-11-08 Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)] Garci, Fatma Ferjani, Hela Chebbi, Hammouda Ben Jomaa, Mariem Zid, Mohamed Faouzi Acta Crystallogr E Crystallogr Commun Research Communications The title mol­ecular salt, (C(7)H(11)N(2))(2)[Hg(2)Cl(6)], crystallizes with two 4-(di­methyl­amino)­pyridinium cations (A and B) and two half hexa­chlorido­dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The di­methyl­amino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(di­methyl­amino)­pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H⋯Cl hydrogen bonds and adjacent layers are linked by C—H⋯Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter­molecular inter­actions, but also serve to further differentiate the weaker inter­molecular inter­actions formed by the organic cations and inorganic anions, such as π–π and Cl⋯Cl inter­actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy. International Union of Crystallography 2019-10-03 /pmc/articles/PMC6829733/ /pubmed/31709076 http://dx.doi.org/10.1107/S2056989019013124 Text en © Garci et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Garci, Fatma
Ferjani, Hela
Chebbi, Hammouda
Ben Jomaa, Mariem
Zid, Mohamed Faouzi
Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title_full Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title_fullStr Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title_full_unstemmed Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title_short Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(II)]
title_sort crystal structure, hirshfeld surface analysis and physicochemical characterization of bis­[4-(di­methyl­amino)­pyridinium] di-μ-chlorido-bis[di­chlorido­mercurate(ii)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829733/
https://www.ncbi.nlm.nih.gov/pubmed/31709076
http://dx.doi.org/10.1107/S2056989019013124
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