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Crystal structure of 2,3-diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one 1-oxide.

ABSTRACT: In the racemic title compound, C20H15NO2S, the planes of the two phenyl substituents form dihedral angles of 48.97?(15) and 69.26?(15)° with that of the fused benzene ring of the parent benzo-thia-zine ring, while the heterocyclic thia-zine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thia-zine ring and trans to the 2-phenyl group. In the crystal, mol-ecules are arranged in layers in the ac plane, the layers being linked across b through inter-molecular C-H?O hydrogen-bonding inter-actions.

SUBMITTER: Yennawar HP 

PROVIDER: S-EPMC5598846 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-one 1-oxide.

Yennawar Hemant P HP   Fox Ryan R   Moyer Quentin J QJ   Yang Ziwei Z   Silverberg Lee J LJ  

Acta crystallographica. Section E, Crystallographic communications 20170717 Pt 8

In the racemic title compound, C<sub>20</sub>H<sub>15</sub>NO<sub>2</sub>S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzo-thia-zine ring, while the heterocyclic thia-zine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thia-zine ring and <i>trans</i> to the 2-phenyl group. In the crystal, mol-ecules are arranged in layers in the <i>ac</i> plane, th  ...[more]

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