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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Text |
id | pubmed-3099853 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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