【摘 要】
：
2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one (TDBTO), a new thiazin-one derivative, was synthesized and investigated.The crystal structure of TDBTO (C8H5NOS2,
【机 构】
：
Department of Chemistry,State Key Laboratory for Physical Chemistry of Solid Surfaces
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2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one (TDBTO), a new thiazin-one derivative, was synthesized and investigated.The crystal structure of TDBTO (C8H5NOS2, Mr = 193.8) was determined by single-crystal X-ray diffraction.The crystal belongs to the triclinic system, space group P with a = 6.946(3), b = 7.402(3), c = 8.954(4) -, α = 66.931(7)o, β = 89.866(7)o, γ = 72.289(7)o, V = 399.8(3) -3, Z = 2, Mr = 195.25, Dc = 1.622 g/cm3, μ = 0.606 mm-1, F(000) = 200, R = 0.0361 and wR = 0.1032.There exist intermolecular hydrogen bond of N(1)-H(1A)…O(1) and weak C(6)-H(6A)…O(1) contact in the structure as well as face-to-face π-π stacking interactions between the benzene ring and the thiazin ring of an adjacent benzo- thiazin unit.The photoinduced proton transfer reaction, transforming the initial thione into thiol form, was found, and the latter form was characterized by UV absorption spectra, fluo-rescence spectra and infrared spectra.
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