Affiliations 

  • 1 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
PMID: 21588631 DOI: 10.1107/S1600536810031260

Abstract

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 intra-molecular C-H⋯N(pyrazine) inter-action. In the crystal, the amine H atom forms an N-H⋯O hydrogen bond to the water mol-ecule, which in turn forms two O-H⋯N hydrogen bonds to the pyrazine N atoms of different organic mol-ecules. These inter-actions lead to supra-molecular arrays in the bc plane that are two mol-ecules thick; additional π-π inter-actions stabilize the layers [ring centroid-centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C-H⋯π contacts.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.