Document Type
Article
Publication Date
1-1-2010
Abstract
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.
Keywords
Quinoxaline system, Angstrom, Short intramolecular, N(pyrazine) interaction, Crysta, Amine, Water molecule, Hydrogen bonds, Pyrazine N, Organic molecules, Supramolecular arrays
Divisions
CHEMISTRY
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
66
Issue
9
Publisher
International Union of Crystallography
Additional Information
Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA