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Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2) Br,3κ(2) Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3) N,S:S)tetramercury(II)
The macrometallacyclic title compound, [Hg(4)Br(4)(C(8)H(11)N(2)S)(4)] or [((HgL (2))(HgBr(2)))(2)] (1) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg(2+) complex crystallizes in the P2(1)/c space group. The centrosymmetric Hg(4)S(4) m...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561197/ https://www.ncbi.nlm.nih.gov/pubmed/37817964 http://dx.doi.org/10.1107/S205698902300823X |
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author | Thomas, Isla D. Kocher, Kathryn R. Viehweg, Julie A. Pike, Robert D. Bebout, Deborah C. |
author_facet | Thomas, Isla D. Kocher, Kathryn R. Viehweg, Julie A. Pike, Robert D. Bebout, Deborah C. |
author_sort | Thomas, Isla D. |
collection | PubMed |
description | The macrometallacyclic title compound, [Hg(4)Br(4)(C(8)H(11)N(2)S)(4)] or [((HgL (2))(HgBr(2)))(2)] (1) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg(2+) complex crystallizes in the P2(1)/c space group. The centrosymmetric Hg(4)S(4) metallacycle is constructed from metal ions with alternating distorted tetrahedral Br(2)S(2) and distorted seesaw N(2)S(2) primary coordination environments with pendant pyridyl groups. The backfolded extended chair metallacycle conformation suggests interactions between each of the bis-chelated mercury atoms and Br atoms lying above and below the central Hg(2)S(4) plane. Supramolecular interactions in 1 include a fourfold aryl embrace and potential hydrogen bonds with bromine as the acceptor. Hirshfeld surface analysis indicates that H⋯H (51.7%), Br⋯H/H⋯Br (23.0%) and C⋯H/H⋯C (9.5%) interactions are dominant. |
format | Online Article Text |
id | pubmed-10561197 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-105611972023-10-10 Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2) Br,3κ(2) Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3) N,S:S)tetramercury(II) Thomas, Isla D. Kocher, Kathryn R. Viehweg, Julie A. Pike, Robert D. Bebout, Deborah C. Acta Crystallogr E Crystallogr Commun Research Communications The macrometallacyclic title compound, [Hg(4)Br(4)(C(8)H(11)N(2)S)(4)] or [((HgL (2))(HgBr(2)))(2)] (1) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg(2+) complex crystallizes in the P2(1)/c space group. The centrosymmetric Hg(4)S(4) metallacycle is constructed from metal ions with alternating distorted tetrahedral Br(2)S(2) and distorted seesaw N(2)S(2) primary coordination environments with pendant pyridyl groups. The backfolded extended chair metallacycle conformation suggests interactions between each of the bis-chelated mercury atoms and Br atoms lying above and below the central Hg(2)S(4) plane. Supramolecular interactions in 1 include a fourfold aryl embrace and potential hydrogen bonds with bromine as the acceptor. Hirshfeld surface analysis indicates that H⋯H (51.7%), Br⋯H/H⋯Br (23.0%) and C⋯H/H⋯C (9.5%) interactions are dominant. International Union of Crystallography 2023-09-29 /pmc/articles/PMC10561197/ /pubmed/37817964 http://dx.doi.org/10.1107/S205698902300823X Text en © Thomas et al. 2023 https://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. |
spellingShingle | Research Communications Thomas, Isla D. Kocher, Kathryn R. Viehweg, Julie A. Pike, Robert D. Bebout, Deborah C. Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2) Br,3κ(2) Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3) N,S:S)tetramercury(II) |
title | Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
Br,3κ(2)
Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
N,S:S)tetramercury(II) |
title_full | Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
Br,3κ(2)
Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
N,S:S)tetramercury(II) |
title_fullStr | Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
Br,3κ(2)
Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
N,S:S)tetramercury(II) |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
Br,3κ(2)
Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
N,S:S)tetramercury(II) |
title_short | Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
Br,3κ(2)
Br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
N,S:S)tetramercury(II) |
title_sort | crystal structure and hirshfeld surface analysis of cyclo-tetrabromido-1κ(2)
br,3κ(2)
br-tetrakis(μ(2)-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ(3)
n,s:s)tetramercury(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561197/ https://www.ncbi.nlm.nih.gov/pubmed/37817964 http://dx.doi.org/10.1107/S205698902300823X |
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