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Crystal structure of meso-3,3 ‘-(1,4-ohenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazm-4-one)
The crystal structure of the title compound – meso-C26H24N2O2S2 with two stereocenters – has half the molecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thiazine ring is in a conformation that is between half-chair and envelope [theta = 52.51 (17)degrees]. The phenyl ring on the 2-carbon atom of the thiazine ring is pseudo-axial. The central phenyl ring of the molecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)degrees between those planes. In the crystal, pairwise, weak C-H center dot center dot center dot O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring molecules result in continuous strips propagating along the a-axis direction. Hydrophobic interactions of the C-H center dot center dot center dot pi type are also observed.
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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem