Crystal structure of (E)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)-methyl]-2H-benzo[b][1,4]thiazin-3(4H)-one

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Abstract

In the title compound, C25H20N2O2S, the dihydroisoxazole ring exhibits an envelope conformation with the methine atom being the flap, while the 1,4-thiazine ring displays a screw-boat conformation. The six-membered ring fused to the 1,4-thiazine ring makes dihedral angles of 63.04 (2) and 54.7 (2)° with the mean planes through the five-membered heterocycle and the attached phenyl ring, respectively. The phenyl group connected to the 1,4-thiazine ring is disordered over two sites [major component = 0.57 (2)]. The most prominent interactions in the crystal structure are C-H⋯O hydrogen bonds that link molecules, forming inversion dimers, and C-H⋯N hydrogen bonds that link the dimers into columns parallel to the b axis.

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Kheira Sebbar, N., Ellouz, M., Essassi, E. M., Saadi, M., & El Ammari, L. (2015). Crystal structure of (E)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)-methyl]-2H-benzo[b][1,4]thiazin-3(4H)-one. Acta Crystallographica Section E: Crystallographic Communications, 71, o423–o424. https://doi.org/10.1107/S2056989015009755

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