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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-6002816 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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