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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...

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Autores principales: Fontenot, Patricia R., Wang, Bo, Chen, Yueli, Donahue, James P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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