2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile

In the title compound, C(12)H(7)N(3)OS, the essentially planar thia­zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the –C(CN)(2) group (r.m.s. deviation = 0.003 Å), respectively. The mol­ecule has approximate local C (s) symmetry. In t...

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Detalles Bibliográficos
Autores principales: Sakka, Ola K., Fleita, Daisy H., Harrison, William T. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588553/
https://www.ncbi.nlm.nih.gov/pubmed/23476542
http://dx.doi.org/10.1107/S160053681300216X
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author Sakka, Ola K.
Fleita, Daisy H.
Harrison, William T. A.
author_facet Sakka, Ola K.
Fleita, Daisy H.
Harrison, William T. A.
author_sort Sakka, Ola K.
collection PubMed
description In the title compound, C(12)H(7)N(3)OS, the essentially planar thia­zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the –C(CN)(2) group (r.m.s. deviation = 0.003 Å), respectively. The mol­ecule has approximate local C (s) symmetry. In the crystal, molecules are linked via C—H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.
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spelling pubmed-35885532013-03-08 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile Sakka, Ola K. Fleita, Daisy H. Harrison, William T. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(7)N(3)OS, the essentially planar thia­zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the –C(CN)(2) group (r.m.s. deviation = 0.003 Å), respectively. The mol­ecule has approximate local C (s) symmetry. In the crystal, molecules are linked via C—H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio. International Union of Crystallography 2013-02-06 /pmc/articles/PMC3588553/ /pubmed/23476542 http://dx.doi.org/10.1107/S160053681300216X Text en © Sakka et al. 2013 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
Sakka, Ola K.
Fleita, Daisy H.
Harrison, William T. A.
2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title_full 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title_fullStr 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title_full_unstemmed 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title_short 2-(4-Oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
title_sort 2-(4-oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene)malononitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588553/
https://www.ncbi.nlm.nih.gov/pubmed/23476542
http://dx.doi.org/10.1107/S160053681300216X
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