N-(3-Methylphenyl)quinoxalin-2-amine monohydrate

The quinoxaline system in the title hydrate, C(15)H(13)N(3)center dot H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 angstrom; this conformation features a short intramolecular C-H center dot center dot center dot N(pyrazine) interaction. In the crystal, the amine...

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Bibliographic Details
Main Authors: Ariffin, Azhar, Tiekink, E.R.T., Idris, A., Abdullah, Z., Fairuz, Z.A., Ng, S.W.
Format: Article
Language:English
Published: International Union of Crystallography 2010
Subjects:
Online Access:http://eprints.um.edu.my/8085/1/Idris-2010-N-%283-Methylphenyl%29qu.pdf
Description
Summary:The quinoxaline system in the title hydrate, C(15)H(13)N(3)center dot H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 angstrom; this conformation features a short intramolecular C-H center dot center dot center dot N(pyrazine) interaction. In the crystal, the amine H atom forms an N-H center dot center dot center dot O hydrogen bond to the water molecule, which in turn forms two O-H center dot center dot center dot 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 pi-pi interactions stabilize the layers [ ring centroid-centroid distance = 3.5923 (7) angstrom]. The layers stack along the a-axis direction via C-H center dot center dot center dot pi contacts.