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Acta Crystallogr E Crystallogr Commun ; 77(Pt 3): 294-297, 2021 Mar 01.
Article in English | MEDLINE | ID: mdl-33953954

ABSTRACT

In the title compound, C22H22ClN3O4S, which has potential non-steroidal anti-inflammatory activity, the benzo-thia-zine and cyclo-hexenone rings both adopt a distorted sofa conformation while the 4H-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)°. In the crystal, the mol-ecules form a hydrogen-bonded chain parallel to the a axis due to N-H⋯O and N-H⋯Cl hydrogen bonds. Neighbouring chains are linked by C-H⋯N, C-H⋯O and π-π stacking inter-actions. Hirshfeld surface analysis was used to investigate the importance of the different types of inter-molecular inter-actions whose contributions are: H⋯H = 44.7%, O⋯H/H⋯O = 21.8%, N⋯H/H⋯N = 11.9%, C⋯H/H⋯C = 9.5%, Cl⋯H/H⋯Cl = 7.2%. Parts of the mol-ecule, viz. the phenyl ring and the ethyl side chain, are equally disordered over two sets of sites.

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