Author:
Salam M. A.,Hussein Mouayed A.,Tiekink Edward R. T.
Abstract
The title compound, C9H11N3O2S, is a second monoclinic (P21/c) polymorph of the previously reportedCcform [Tanet al.(2008b).Acta Cryst.E64, o2224]. The molecule is non-planar, with the dihedral angle between the N3CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] isE, the two N-bound H atoms areanti, and the inner hydroxy O-bound and outer amide N-bound H atoms form intramolecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hydroxy group is approximatelysynto the H atom of the benzene C atom connecting the two C atoms bearing the hydroxy substituents. This arrangement enables the formation of supramolecular tubes aligned along [010] and sustained by N—H...O, O—H...S and N—H...S hydrogen bonds; the tubes pack with no specific interactions between them. While the molecular structure in theCcform is comparable, the H atom of the outer hydroxy group is approximatelyanti, rather thansyn. This different orientation leads to the formation a three-dimensional architecture based on N—H...O and O—H...S hydrogen bonds.
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Cited by
4 articles.
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