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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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Autores principales: Brito, Iván, Albanez, Joselyn, Bolte, Michael
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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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