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Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)

The two title compounds, C(8)H(6)O(2)S(6) and C(8)H(6)O(2)S(4)Se(2), are isotypic with very similar cell parameters. The complete mol­ecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinc...

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Autores principales: Trentin, Ivan, Schindler, Claudia, Schulzke, Carola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002816/
https://www.ncbi.nlm.nih.gov/pubmed/29951242
http://dx.doi.org/10.1107/S2056989018007454
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author Trentin, Ivan
Schindler, Claudia
Schulzke, Carola
author_facet Trentin, Ivan
Schindler, Claudia
Schulzke, Carola
author_sort Trentin, Ivan
collection PubMed
description The two title compounds, C(8)H(6)O(2)S(6) and C(8)H(6)O(2)S(4)Se(2), are isotypic with very similar cell parameters. The complete mol­ecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinct sizes of sulfur and selenium in the dichalcogenide bridges, with C—S—S—C and C—Se—Se—C torsion angles of 70.70 (5) and 68.88 (3)°, respectively. The crystal packing is determined by weak non-classical hydrogen-bonding inter­actions. One carbonyl oxygen but not the other participates in C—H⋯O inter­actions zigzagging along the b axis, forming infinite chains. This is complemented by an intra­molecular C—H⋯S inter­action and further inter­molecular C—H⋯S (C—H⋯Se) inter­actions, resulting in a three-dimensional network. The inter­actions involving the bridging chalcogenides form chains protruding along the c axis.
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spelling pubmed-60028162018-06-27 Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) Trentin, Ivan Schindler, Claudia Schulzke, Carola Acta Crystallogr E Crystallogr Commun Research Communications The two title compounds, C(8)H(6)O(2)S(6) and C(8)H(6)O(2)S(4)Se(2), are isotypic with very similar cell parameters. The complete mol­ecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinct sizes of sulfur and selenium in the dichalcogenide bridges, with C—S—S—C and C—Se—Se—C torsion angles of 70.70 (5) and 68.88 (3)°, respectively. The crystal packing is determined by weak non-classical hydrogen-bonding inter­actions. One carbonyl oxygen but not the other participates in C—H⋯O inter­actions zigzagging along the b axis, forming infinite chains. This is complemented by an intra­molecular C—H⋯S inter­action and further inter­molecular C—H⋯S (C—H⋯Se) inter­actions, resulting in a three-dimensional network. The inter­actions involving the bridging chalcogenides form chains protruding along the c axis. International Union of Crystallography 2018-05-22 /pmc/articles/PMC6002816/ /pubmed/29951242 http://dx.doi.org/10.1107/S2056989018007454 Text en © Trentin et al. 2018 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
Trentin, Ivan
Schindler, Claudia
Schulzke, Carola
Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title_full Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title_fullStr Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title_full_unstemmed Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title_short Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)
title_sort crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2h-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2h-1,3-dithiol-2-one)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002816/
https://www.ncbi.nlm.nih.gov/pubmed/29951242
http://dx.doi.org/10.1107/S2056989018007454
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