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Trithiacyanuric acid: a second triclinic polymorph
The title compound, C(3)H(3)N(3)S(3), is a triclinic modification. The other reported modification crystallizes with just one molecule in the asymmetric unit, [Guo et al. (2006 ▶). Cryst. Growth Des. 6, 846–848] and was solved by power X-ray diffraction data. The present modification has Z′ = 2. In...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007918/ https://www.ncbi.nlm.nih.gov/pubmed/21588719 http://dx.doi.org/10.1107/S1600536810033234 |
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author | Brito, Iván Albanez, Joselyn Bolte, Michael |
author_facet | Brito, Iván Albanez, Joselyn Bolte, Michael |
author_sort | Brito, Iván |
collection | PubMed |
description | The title compound, C(3)H(3)N(3)S(3), is a triclinic modification. The other reported modification crystallizes with just one molecule in the asymmetric unit, [Guo et al. (2006 ▶). Cryst. Growth Des. 6, 846–848] and was solved by power X-ray diffraction data. The present modification has Z′ = 2. In the crystal, molecules are linked by strong intramolecular N—H⋯S hydrogen bonds with set graph-motif R (2) (2)(8). In both molecules, all of the N atoms and two of the S atoms are involved in hydrogen bonding, with an average H⋯S distance of 2.58 Å and N—H⋯S angles in the range 163–167°. π–π stacking interactions are not observed. In the solid state, the molecules exist in the thione form. The molecular and supramolecular properties are similar in both polymorphs. |
format | Text |
id | pubmed-3007918 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30079182010-12-30 Trithiacyanuric acid: a second triclinic polymorph Brito, Iván Albanez, Joselyn Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(3)H(3)N(3)S(3), is a triclinic modification. The other reported modification crystallizes with just one molecule in the asymmetric unit, [Guo et al. (2006 ▶). Cryst. Growth Des. 6, 846–848] and was solved by power X-ray diffraction data. The present modification has Z′ = 2. In the crystal, molecules are linked by strong intramolecular N—H⋯S hydrogen bonds with set graph-motif R (2) (2)(8). In both molecules, all of the N atoms and two of the S atoms are involved in hydrogen bonding, with an average H⋯S distance of 2.58 Å and N—H⋯S angles in the range 163–167°. π–π stacking interactions are not observed. In the solid state, the molecules exist in the thione form. The molecular and supramolecular properties are similar in both polymorphs. International Union of Crystallography 2010-08-21 /pmc/articles/PMC3007918/ /pubmed/21588719 http://dx.doi.org/10.1107/S1600536810033234 Text en © Brito et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Brito, Iván Albanez, Joselyn Bolte, Michael Trithiacyanuric acid: a second triclinic polymorph |
title | Trithiacyanuric acid: a second triclinic polymorph |
title_full | Trithiacyanuric acid: a second triclinic polymorph |
title_fullStr | Trithiacyanuric acid: a second triclinic polymorph |
title_full_unstemmed | Trithiacyanuric acid: a second triclinic polymorph |
title_short | Trithiacyanuric acid: a second triclinic polymorph |
title_sort | trithiacyanuric acid: a second triclinic polymorph |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007918/ https://www.ncbi.nlm.nih.gov/pubmed/21588719 http://dx.doi.org/10.1107/S1600536810033234 |
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