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Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4 H -1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4 H -pyrido[3,2- e ][1,3]thia-zin-4-one.

Hemant P YennawarTapas K MalCarlos N PachecoAnthony F LagalanteMark A OlsenMichael W RussellGrace C MuenchQuentin J MoyerLee J Silverberg
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
The title sulfones, 2,3-diphenyl-2,3-di-hydro-4 H -1,3-benzo-thia-zine-1,1,4-trione, C 20 H 15 NO 3 S, and 2,3-diphenyl-2,3-di-hydro-4 H -pyrido[3,2- e ][1,3]thia-zine-1,1,4-trione, C 19 H 14 N 2 O 3 S, crystallize in space group P 2 1 / n with two mol-ecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thia-zine rings exhibit a screw-boat pucker. The inter-molecular inter-actions observed are C-H⋯O-type hydrogen bonds and parallel partial π-π stacking between the fused aromatic rings (benzo- or pyrido-) of the core of the mol-ecules within each asymmetric unit, and also connecting to mol-ecules with translational periodicity in the a -axis direction in what can be described as columns (two per asymmetric unit) of stacked mol-ecules with alternating chirality. The pendant phenyl groups of both mol-ecules do not participate in aromatic ring inter-actions.
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