Author:
Yennawar Hemant P.,Singh Harnoor,Silverberg Lee J.
Abstract
The asymmetric unit of the title compound, C18H18N2O2S.0.375H2O, has two independent organic molecules (AandB) and 3/4 of a water molecule distributed over three sites. In moleculeA, the 1,3-thiazine ring is in a boat conformation, with the C atoms at the 2- and 5-positions out of the plane. The angle between the two phenyl rings is 51.70 (12)°. In moleculeB, the thiazine ring is in a half-chair conformation, with the S atom forming the back of the half-chair. The angle between the two phenyl rings is 84.44 (14)°. TheAmolecule features an intramolecular N—H...O hydrogen bond, which closes anS(5) ring motif. In the crystal, the corresponding N—H grouping of theBmolecule participates in an intermolecular hydrogen bond to theAmolecule. TheAmolecule participates in a C—H...O interaction back to theBmolecule, whilst theBmolecule features an intramolecular C—H...O link, which generates anS(10) loop.
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Cited by
6 articles.
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5. Chemistry of 1,3-thiazin-4-ones and their derivatives, 1995 - mid-2018;Arkivoc;2019-06-16