3,3'-(Phenyl-methyl-ene)bis-(1-ethyl-3,4-di-hydro-1-2,1-benzo-thia-zine-2,2,4-trione): single-crystal X-ray diffraction study, quantum-chemical calculations and Hirshfeld surface analysis.

The title compound, CHNOS, possesses potential anti-microbial, analgesic, and anti-inflammatory activity. This compound has three tautomeric forms, which relative energies were estimated with quantum-chemical calculations. All these tautomers (dienol form , keto-enol form , and diketo form ) were optimized by the M06-2X/cc-pVTZ method in a vacuum, using the PCM model with chloro-form and DMSO as solvent.

2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1-benzo[][1,2]thia-zin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra-hydro-4-chromene-3-carbo-nitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis.

In the title compound, CHClNOS, which has potential non-steroidal anti-inflammatory activity, the benzo-thia-zine and cyclo-hexenone rings both adopt a distorted sofa conformation while the 4-pyrane ring adopts a very flattened sofa conformation. The two bicyclic fragments are skewed to each other, with the dihedral angle between their least-squares planes being 72.8 (1)°.

1,2-Benzoxathiin-4(3)-one 2,2-dioxide - new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles.

The reactivity of 1,2-benzoxathiin-4(3)-one 2,2-dioxide was studied in multicomponent type reactions for the first time, namely, in a three-component interaction with active methylene nitriles and aromatic aldehydes in order to construct condensed 2-amino-4-pyran derivatives. The reaction outcome strongly depended on the nature of an active methylene nitrile and an arenecarbaldehyde. Application of malononitrile resulted in novel 2-amino-4-aryl-4-pyrano[3,2-][1,2]benzoxathiine-3-carbonitrile 5,5-dioxides in most cases, whereas the utilization of ethyl cyanoacetate resulted in a complex mixture of products.