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Crystal structure of tetraisobutylthiuram disulfide
Tetrakis(2-methylpropyl)thioperoxydicarbonic diamide, or tetraisobutylthiuram disulfide, C(18)H(36)N(2)S(4), crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C (2) symmetry about the disulfide bond. The C—S—S—C torsion angle [−85.81 (2)°] and the dihed...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683509/ https://www.ncbi.nlm.nih.gov/pubmed/29152369 http://dx.doi.org/10.1107/S2056989017015158 |
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author | Fontenot, Patricia R. Wang, Bo Chen, Yueli Donahue, James P. |
author_facet | Fontenot, Patricia R. Wang, Bo Chen, Yueli Donahue, James P. |
author_sort | Fontenot, Patricia R. |
collection | PubMed |
description | Tetrakis(2-methylpropyl)thioperoxydicarbonic diamide, or tetraisobutylthiuram disulfide, C(18)H(36)N(2)S(4), crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C (2) symmetry about the disulfide bond. The C—S—S—C torsion angle [−85.81 (2)°] and the dihedral angle between the two NCS(2) mean planes [85.91 (5)°] are within the range observed for this compound type. Multiple intra- and intermolecular S⋯H—C close contacts appear to play a role in assisting the specific conformation of the pendant isobutyl groups and the packing arrangement of molecules within the cell. Tetraisobutylthiuram disulfide molecules of one optical configuration form sheets in the plane of the a and b axes. Inversion centers exist between adjoining sheets, which stack along the c axis and alternate in the handedness of their constituent molecules. |
format | Online Article Text |
id | pubmed-5683509 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-56835092017-11-17 Crystal structure of tetraisobutylthiuram disulfide Fontenot, Patricia R. Wang, Bo Chen, Yueli Donahue, James P. Acta Crystallogr E Crystallogr Commun Research Communications Tetrakis(2-methylpropyl)thioperoxydicarbonic diamide, or tetraisobutylthiuram disulfide, C(18)H(36)N(2)S(4), crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C (2) symmetry about the disulfide bond. The C—S—S—C torsion angle [−85.81 (2)°] and the dihedral angle between the two NCS(2) mean planes [85.91 (5)°] are within the range observed for this compound type. Multiple intra- and intermolecular S⋯H—C close contacts appear to play a role in assisting the specific conformation of the pendant isobutyl groups and the packing arrangement of molecules within the cell. Tetraisobutylthiuram disulfide molecules of one optical configuration form sheets in the plane of the a and b axes. Inversion centers exist between adjoining sheets, which stack along the c axis and alternate in the handedness of their constituent molecules. International Union of Crystallography 2017-10-24 /pmc/articles/PMC5683509/ /pubmed/29152369 http://dx.doi.org/10.1107/S2056989017015158 Text en © Fontenot 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 Fontenot, Patricia R. Wang, Bo Chen, Yueli Donahue, James P. Crystal structure of tetraisobutylthiuram disulfide |
title | Crystal structure of tetraisobutylthiuram disulfide |
title_full | Crystal structure of tetraisobutylthiuram disulfide |
title_fullStr | Crystal structure of tetraisobutylthiuram disulfide |
title_full_unstemmed | Crystal structure of tetraisobutylthiuram disulfide |
title_short | Crystal structure of tetraisobutylthiuram disulfide |
title_sort | crystal structure of tetraisobutylthiuram disulfide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683509/ https://www.ncbi.nlm.nih.gov/pubmed/29152369 http://dx.doi.org/10.1107/S2056989017015158 |
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