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10-[(4-Nitro-phen-yl)ethyn-yl]-10H-pheno-thia-zine.

ABSTRACT: The title compound, C₂₀H₁₂N₂OS, is a 10-ethynyl-10H-pheno-thia-zine derivative. The pheno-thia-zine unit has a butterfly shape, where the folding angle between the two benzene rings is 153.87 (7)°, which is almost as in other reported pheno-thia-zine derivatives. The dihedral angle between the mean plane including the C atoms bonded to the pheno-thia-zine N atom and the benzene ring of the nitro-benzene group is 10.34 (5)°. The near planar geometry of the mol-ecule is reasonably explained by intra-molecular charge-transfer inter-actions.

SUBMITTER: Okuno T

PROVIDER: S-EPMC9635434 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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10-[(4-Nitro-phen-yl)ethyn-yl]-10H-pheno-thia-zine.

Okuno Tsunehisa T Doi Ikue I

IUCrData 20220901 Pt 9

The title compound, C20H12N2OS, is a 10-ethynyl-10H-pheno-thia-zine derivative. The pheno-thia-zine unit has a butterfly shape, where the folding angle between the two benzene rings is 153.87 (7)°, which is almost as in other reported pheno-thia-zine derivatives. The dihedral angle between the mean plane including the C atoms bonded to the pheno-thia-zine N atom and the benzene ring of the nitro-benzene group is 10.34 (5)°. The near planar geometry of the ...[more]

PMID: 36337462

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