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Crystal structure of (E)-2-benzyl-idene-4-[(3-phenyl-4,5-di-hydro-isoxazol-5-yl)meth-yl]-2H-benzo[b][1,4]thia-zin-3(4H)-one.

ABSTRACT: In the title compound, C25H20N2O2S, the di-hydro-isoxazole ring exhibits an envelope conformation with the methine atom being the flap, while the 1,4-thia-zine ring displays a screw-boat conformation. The six-membered ring fused to the 1,4-thia-zine 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-thia-zine ring is disordered over two sites [major component = 0.57?(2)]. The most prominent inter-actions in the crystal structure are C-H?O hydrogen bonds that link mol-ecules, forming inversion dimers, and C-H?N hydrogen bonds that link the dimers into columns parallel to the b axis.

SUBMITTER: Sebbar NK 

PROVIDER: S-EPMC4459330 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-2-benzyl-idene-4-[(3-phenyl-4,5-di-hydro-isoxazol-5-yl)meth-yl]-2H-benzo[b][1,4]thia-zin-3(4H)-one.

Sebbar Nada Kheira NK   Ellouz Mohamed M   Essassi El Mokhtar el M   Saadi Mohamed M   El Ammari Lahcen L  

Acta crystallographica. Section E, Crystallographic communications 20150523 Pt 6

In the title compound, C25H20N2O2S, the di-hydro-isoxazole ring exhibits an envelope conformation with the methine atom being the flap, while the 1,4-thia-zine ring displays a screw-boat conformation. The six-membered ring fused to the 1,4-thia-zine 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-thia-zine ring is disordered over two sites [major comp  ...[more]

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