Synthesis,  13 C NMR spectrum and crystal structure of 10‐Phenylpyrido[3,2‐ b ][1,4]benzothiazine 5‐Oxide | Zendy

Jovanovic Misa V. | Zendy; Biehl Edward R. | Zendy; De Meester Patrice | Zendy; Chu Shirley S. C. | Zendy

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Synthesis, 13 C NMR spectrum and crystal structure of 10‐Phenylpyrido[3,2‐ b ][1,4]benzothiazine 5‐Oxide

Author(s) -

Jovanovic Misa V.,

Biehl Edward R.,

De Meester Patrice,

Chu Shirley S. C.

Publication year - 1986

Publication title -

journal of heterocyclic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.321

H-Index - 59

eISSN - 1943-5193

pISSN - 0022-152X

DOI - 10.1002/jhet.5570230329

Subject(s) - chemistry , benzothiazine , monoclinic crystal system , crystallography , crystal structure , ring (chemistry) , molecule , oxide , yield (engineering) , crystal (programming language) , sulfoxide , stereochemistry , medicinal chemistry , organic chemistry , materials science , computer science , programming language , metallurgy

The compound 10‐phenylpyrido[3,2‐ b ][1,4]benzothiazine 5‐oxide, 1 , has been obtained in nearly quantitative yield oxidation of 10‐phenylpyrido[3,2‐ b ][1,4]benzothiazine with oxygen in dioxane solution. The 13 C nmr chemical shift assignments of 1 are reported. Its structure has been determined by X‐ray single crystal methods. The crystals of 1 are monoclinic, space group P2 1 /n. There are four molecules in a unit‐cell of dimensions a = 12.347(3), b = 12.947(3), c = 8.987(1)Å, β = 106.73(1)° and V = 1375.8(5) Å 3 . The central ring is in a boat conformation and the sulfoxide oxygen atom occupies the axial position. The folding angle between the planes of the pyrido and the benzo planes is 161.55(9)°.

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