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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...

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Autores principales: Idris, Azila, Abdullah, Zanariah, Ariffin, Azahar, Fairuz, Zainal A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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