1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea

The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio­cyanate, malononitrile and amino­ethanol. The –C(H(2))–N(H)–(C=S)–N(H)– methyl­thio­urea–methane group is almost normal to the phenyl ring, with a dihedral angle of 71....

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Autores principales: Abdelhamid, Antar A., Mohamed, Shaaban K., Akkurt, Mehmet, Singh, Kuldip, Potgieter, Herman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344104/
https://www.ncbi.nlm.nih.gov/pubmed/22606107
http://dx.doi.org/10.1107/S160053681201183X
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author Abdelhamid, Antar A.
Mohamed, Shaaban K.
Akkurt, Mehmet
Singh, Kuldip
Potgieter, Herman
author_facet Abdelhamid, Antar A.
Mohamed, Shaaban K.
Akkurt, Mehmet
Singh, Kuldip
Potgieter, Herman
author_sort Abdelhamid, Antar A.
collection PubMed
description The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio­cyanate, malononitrile and amino­ethanol. The –C(H(2))–N(H)–(C=S)–N(H)– methyl­thio­urea–methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13 (9)°. The N—C—C—O torsion angle is 72.8 (2)°. In the crystal, mol­ecules are connected by N—H⋯O, O—H⋯S and N—H⋯O hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-33441042012-05-17 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea Abdelhamid, Antar A. Mohamed, Shaaban K. Akkurt, Mehmet Singh, Kuldip Potgieter, Herman Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio­cyanate, malononitrile and amino­ethanol. The –C(H(2))–N(H)–(C=S)–N(H)– methyl­thio­urea–methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13 (9)°. The N—C—C—O torsion angle is 72.8 (2)°. In the crystal, mol­ecules are connected by N—H⋯O, O—H⋯S and N—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3344104/ /pubmed/22606107 http://dx.doi.org/10.1107/S160053681201183X Text en © Abdelhamid et al. 2012 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
Abdelhamid, Antar A.
Mohamed, Shaaban K.
Akkurt, Mehmet
Singh, Kuldip
Potgieter, Herman
1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title_full 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title_fullStr 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title_full_unstemmed 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title_short 1-(2-Hy­droxy­eth­yl)-3-phenyl­thio­urea
title_sort 1-(2-hy­droxy­eth­yl)-3-phenyl­thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344104/
https://www.ncbi.nlm.nih.gov/pubmed/22606107
http://dx.doi.org/10.1107/S160053681201183X
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AT mohamedshaabank 12hydroxyethyl3phenylthiourea
AT akkurtmehmet 12hydroxyethyl3phenylthiourea
AT singhkuldip 12hydroxyethyl3phenylthiourea
AT potgieterherman 12hydroxyethyl3phenylthiourea

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