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2-(1,2-Dihydro-2-oxopyridin-3-yl)-1,3-benzothia-zol-3-ium bromide monohydrate
Kim Potgieter1, Thomas Gerber, Richard Betz
1Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa.
Abstract:
The title hydrated molecular salt, C(12)H(9)N(2)OS(+)·Br(-)·H(2)O, 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.
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