2-(1,2-Dihydro-2-oxopyridin-3-yl)-1,3-benzothia-zol-3-ium bromide monohydrate.

Content Provider	Europe PMC
Author	Potgieter, Kim Gerber, Thomas Betz, Richard
Copyright Year	2011
Abstract	The title hydrated molecular salt, C12H9N2OS+·Br−·H2O, the aza-substituted six-membered ring is present as its keto tautomer instead of its aromatic tautomer. The dihedral angle between the fused ring system and the pyridinone ring in the cation is 6.91 (6)°. In the crystal, bifurcated N—H⋯(O,Br) and O—H⋯Br hydrogen bonds and S⋯O contacts [S⋯O = 3.0526 (10) Å] connect the components into a three-dimensional network. The closest centroid–centroid distance between two π-systems is 3.7420 (7) Å between two benzene rings.
Journal	Acta crystallographica. Section E, Structure Reports Online
Volume Number	67
PubMed Central reference number	PMC3151859
Issue Number	Pt 7
Issue Number	pt 7
PubMed reference number	21837094
e-ISSN	16005368
DOI	10.1107/s1600536811022847
Language	English
Publisher	International Union of Crystallography
Publisher Date	2011-06-18
Access Restriction	Open
Rights License	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. © Potgieter et al. 2011
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics Materials Science