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N-(3-Methylphenyl)quinoxalin-2-amine monohydrate
The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intramolecular C—H⋯N(pyrazine) interaction. In the crystal, the amine H atom forms an N—H⋯O hydrogen bond to the water...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007995/ https://www.ncbi.nlm.nih.gov/pubmed/21588631 http://dx.doi.org/10.1107/S1600536810031260 |
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author | Idris, Azila Abdullah, Zanariah Ariffin, Azahar Fairuz, Zainal A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Idris, Azila Abdullah, Zanariah Ariffin, Azahar Fairuz, Zainal A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Idris, Azila |
collection | PubMed |
description | The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intramolecular C—H⋯N(pyrazine) interaction. In the crystal, the amine H atom forms an N—H⋯O hydrogen bond to the water molecule, which in turn forms two O—H⋯N hydrogen bonds to the pyrazine N atoms of different organic molecules. These interactions lead to supramolecular arrays in the bc plane that are two molecules thick; additional π–π interactions stabilize the layers [ring centroid–centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C—H⋯π contacts. |
format | Text |
id | pubmed-3007995 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30079952010-12-30 N-(3-Methylphenyl)quinoxalin-2-amine monohydrate Idris, Azila Abdullah, Zanariah Ariffin, Azahar Fairuz, Zainal A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intramolecular C—H⋯N(pyrazine) interaction. In the crystal, the amine H atom forms an N—H⋯O hydrogen bond to the water molecule, which in turn forms two O—H⋯N hydrogen bonds to the pyrazine N atoms of different organic molecules. These interactions lead to supramolecular arrays in the bc plane that are two molecules thick; additional π–π interactions stabilize the layers [ring centroid–centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C—H⋯π contacts. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007995/ /pubmed/21588631 http://dx.doi.org/10.1107/S1600536810031260 Text en © Idris et al. 2010 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 Idris, Azila Abdullah, Zanariah Ariffin, Azahar Fairuz, Zainal A. Ng, Seik Weng Tiekink, Edward R. T. N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title |
N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title_full |
N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title_fullStr |
N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title_full_unstemmed |
N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title_short |
N-(3-Methylphenyl)quinoxalin-2-amine monohydrate |
title_sort | n-(3-methylphenyl)quinoxalin-2-amine monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007995/ https://www.ncbi.nlm.nih.gov/pubmed/21588631 http://dx.doi.org/10.1107/S1600536810031260 |
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