Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Thomas, Isla D., Kocher, Kathryn R., Viehweg, Julie A., Pike, Robert D., Bebout, Deborah C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
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
_version_ 1785117868588793856
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
work_keys_str_mv AT thomasislad crystalstructureandhirshfeldsurfaceanalysisofcyclotetrabromido1k2br3k2brtetrakism22pyridin2ylmethylaminoethane1thiolatok3nsstetramercuryii
AT kocherkathrynr crystalstructureandhirshfeldsurfaceanalysisofcyclotetrabromido1k2br3k2brtetrakism22pyridin2ylmethylaminoethane1thiolatok3nsstetramercuryii
AT viehwegjuliea crystalstructureandhirshfeldsurfaceanalysisofcyclotetrabromido1k2br3k2brtetrakism22pyridin2ylmethylaminoethane1thiolatok3nsstetramercuryii
AT pikerobertd crystalstructureandhirshfeldsurfaceanalysisofcyclotetrabromido1k2br3k2brtetrakism22pyridin2ylmethylaminoethane1thiolatok3nsstetramercuryii
AT beboutdeborahc crystalstructureandhirshfeldsurfaceanalysisofcyclotetrabromido1k2br3k2brtetrakism22pyridin2ylmethylaminoethane1thiolatok3nsstetramercuryii