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Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)

In the title salt, (C(34)H(44)N(4))[HgCl(4)], the [C(34)H(44)N(4)](2+) cations and [HgCl(4)](2−) anions are linked by N—H⋯Cl hydrogen bonds. One of the two n-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733 (18) and 0.267 (18). The geometry around the Hg...

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Autores principales: Rani, Varsha, Singh, Harkesh B., Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382622/
https://www.ncbi.nlm.nih.gov/pubmed/28435721
http://dx.doi.org/10.1107/S2056989017004303
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author Rani, Varsha
Singh, Harkesh B.
Butcher, Ray J.
author_facet Rani, Varsha
Singh, Harkesh B.
Butcher, Ray J.
author_sort Rani, Varsha
collection PubMed
description In the title salt, (C(34)H(44)N(4))[HgCl(4)], the [C(34)H(44)N(4)](2+) cations and [HgCl(4)](2−) anions are linked by N—H⋯Cl hydrogen bonds. One of the two n-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733 (18) and 0.267 (18). The geometry around the Hg(II) atom in the [HgCl(4)](2−) anion is distorted tetra­hedral, with bond angles ranging from 98.16 (3) to 120.68 (3)°. In the [HgCl(4)](2−) anion, there are two short Hg—Cl bonds [2.4120 (9) and 2.4171 (11) Å], one inter­mediate Hg—Cl bond [2.4716 (12) Å] and one long Hg—Cl bond [2.6579 (13) Å] for the Cl atom involved in a trifurcated hydrogen bond as an acceptor, including two N—H⋯Cl⋯H—N interactions as well as one C—H⋯Cl inter­action. There are several C—H⋯Cl inter­actions, with C⋯Cl distances ranging from 3.492 (3) to 3.796 (3) Å. These link the cations and anions into a zigzag chain along the c-axis direction. In addition, there are Cl⋯Cl halogen bonds, as well as π–π inter­actions, with centroid-to-centroid distances of 3.4765 (18) Å, which link one of the two benzimidazole moieties into dimeric units.
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spelling pubmed-53826222017-04-21 Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II) Rani, Varsha Singh, Harkesh B. Butcher, Ray J. Acta Crystallogr E Crystallogr Commun Research Communications In the title salt, (C(34)H(44)N(4))[HgCl(4)], the [C(34)H(44)N(4)](2+) cations and [HgCl(4)](2−) anions are linked by N—H⋯Cl hydrogen bonds. One of the two n-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733 (18) and 0.267 (18). The geometry around the Hg(II) atom in the [HgCl(4)](2−) anion is distorted tetra­hedral, with bond angles ranging from 98.16 (3) to 120.68 (3)°. In the [HgCl(4)](2−) anion, there are two short Hg—Cl bonds [2.4120 (9) and 2.4171 (11) Å], one inter­mediate Hg—Cl bond [2.4716 (12) Å] and one long Hg—Cl bond [2.6579 (13) Å] for the Cl atom involved in a trifurcated hydrogen bond as an acceptor, including two N—H⋯Cl⋯H—N interactions as well as one C—H⋯Cl inter­action. There are several C—H⋯Cl inter­actions, with C⋯Cl distances ranging from 3.492 (3) to 3.796 (3) Å. These link the cations and anions into a zigzag chain along the c-axis direction. In addition, there are Cl⋯Cl halogen bonds, as well as π–π inter­actions, with centroid-to-centroid distances of 3.4765 (18) Å, which link one of the two benzimidazole moieties into dimeric units. International Union of Crystallography 2017-03-24 /pmc/articles/PMC5382622/ /pubmed/28435721 http://dx.doi.org/10.1107/S2056989017004303 Text en © Rani et al. 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
Rani, Varsha
Singh, Harkesh B.
Butcher, Ray J.
Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title_full Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title_fullStr Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title_full_unstemmed Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title_short Structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1H-benzimidazol-3-ium) tetra­chlorido­mercurate(II)
title_sort structure of 2,2′-(5-tert-butyl-1,3-phenyl­ene)bis­(1-pentyl-1h-benzimidazol-3-ium) tetra­chlorido­mercurate(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382622/
https://www.ncbi.nlm.nih.gov/pubmed/28435721
http://dx.doi.org/10.1107/S2056989017004303
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