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3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate

In the title compound, C(13)H(13)N(5)OS·H(2)O, the thio­urea mol­ecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated...

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Detalles Bibliográficos
Autores principales: Normaya, Erna, Farina, Yang, Halim, Siti Nadiah Abd, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099853/
https://www.ncbi.nlm.nih.gov/pubmed/21754211
http://dx.doi.org/10.1107/S1600536811010038
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author Normaya, Erna
Farina, Yang
Halim, Siti Nadiah Abd
Tiekink, Edward R. T.
author_facet Normaya, Erna
Farina, Yang
Halim, Siti Nadiah Abd
Tiekink, Edward R. T.
author_sort Normaya, Erna
collection PubMed
description In the title compound, C(13)H(13)N(5)OS·H(2)O, the thio­urea mol­ecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N—H⋯(O,N) hydrogen bonds. In the crystal, the mol­ecules are connected into supra­molecular double chains via a combination of N—H⋯S (linking the two independent mol­ecules), O—H⋯O and O—H⋯N (linking dimeric aggregates into a supra­molecular chain via hy­droxy–water, water–water and water–pyrazine inter­actions) and O—H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C—H⋯N and C—H⋯S inter­actions.
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spelling pubmed-30998532011-07-13 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate Normaya, Erna Farina, Yang Halim, Siti Nadiah Abd Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(13)N(5)OS·H(2)O, the thio­urea mol­ecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N—H⋯(O,N) hydrogen bonds. In the crystal, the mol­ecules are connected into supra­molecular double chains via a combination of N—H⋯S (linking the two independent mol­ecules), O—H⋯O and O—H⋯N (linking dimeric aggregates into a supra­molecular chain via hy­droxy–water, water–water and water–pyrazine inter­actions) and O—H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C—H⋯N and C—H⋯S inter­actions. International Union of Crystallography 2011-03-23 /pmc/articles/PMC3099853/ /pubmed/21754211 http://dx.doi.org/10.1107/S1600536811010038 Text en © Normaya et al. 2011 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
Normaya, Erna
Farina, Yang
Halim, Siti Nadiah Abd
Tiekink, Edward R. T.
3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title_full 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title_fullStr 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title_full_unstemmed 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title_short 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
title_sort 3-(2-hy­droxy­phen­yl)-1-{(e)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099853/
https://www.ncbi.nlm.nih.gov/pubmed/21754211
http://dx.doi.org/10.1107/S1600536811010038
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