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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...
Autores principales: | , , |
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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/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. |
format | Online Article Text |
id | pubmed-5382622 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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