4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one

The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia­zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia­zolidin-4-one ring as indicated by the N—C—C—N torsion angle of −111.96 (18)°. Supra­molecular dimers...

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Detalles Bibliográficos
Autores principales: Neuenfeldt, Patrícia D., Drawanz, Bruna B., Cunico, Wilson, Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971766/
https://www.ncbi.nlm.nih.gov/pubmed/21578902
http://dx.doi.org/10.1107/S1600536809049460
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author Neuenfeldt, Patrícia D.
Drawanz, Bruna B.
Cunico, Wilson
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_facet Neuenfeldt, Patrícia D.
Drawanz, Bruna B.
Cunico, Wilson
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_sort Neuenfeldt, Patrícia D.
collection PubMed
description The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia­zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia­zolidin-4-one ring as indicated by the N—C—C—N torsion angle of −111.96 (18)°. Supra­molecular dimers are formed in the crystal structure through the agency of C—H⋯O contacts occurring between centrosymmetrically related mol­ecules. These are linked into supra­molecular tapes along [100] via C—H⋯S contacts.
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spelling pubmed-29717662010-12-30 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one Neuenfeldt, Patrícia D. Drawanz, Bruna B. Cunico, Wilson Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia­zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia­zolidin-4-one ring as indicated by the N—C—C—N torsion angle of −111.96 (18)°. Supra­molecular dimers are formed in the crystal structure through the agency of C—H⋯O contacts occurring between centrosymmetrically related mol­ecules. These are linked into supra­molecular tapes along [100] via C—H⋯S contacts. International Union of Crystallography 2009-11-25 /pmc/articles/PMC2971766/ /pubmed/21578902 http://dx.doi.org/10.1107/S1600536809049460 Text en © Neuenfeldt et al. 2009 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
Neuenfeldt, Patrícia D.
Drawanz, Bruna B.
Cunico, Wilson
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title_full 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title_fullStr 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title_full_unstemmed 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title_short 4-(Pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
title_sort 4-(pyrimidin-2-yl)-1-thia-4-aza­spiro­[4.5]decan-3-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971766/
https://www.ncbi.nlm.nih.gov/pubmed/21578902
http://dx.doi.org/10.1107/S1600536809049460
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