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| 2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one： Synthesis, Crystal Structure and Its Photoinduced Proton Transfer Reaction | |
| 作者单位： | Department of Chemistry，College of Chemistry and Chemical Engineering，Xiamen University |
| 基金项目： | 国家重点基础研究发展计划(973计划)，国家自然科学基金，厦门大学校科研和教改项目 |
| 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 （CsHsNOS2, Mr = 193.8） was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 6.946（3）, b = 7.402（3）, c = 8.954（4）A, α = 66.931（7）°,β = 89.866（7）°, γ = 72.289（7）°, V = 399.8（3） A^3, Z = 2, Mr = 195.25, Dc = 1.622 g/cm^3,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 benzothiazin 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. |
| 关 键 词： | 合成 晶体结构 光感应质子传递 TDBTO |
2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one:Synthesis, Crystal Structure and Its Photoinduced Proton Transfer Reaction |
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| LIN Li-Rong,FANG Wei,HUANG Rong-Bin,ZHENG Lan-Sun. 2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one:Synthesis, Crystal Structure and Its Photoinduced Proton Transfer Reaction[J]. Chinese Journal of Structural Chemistry, 2008, 27(9): 1059-1064 | |
| Authors: | LIN Li-Rong FANG Wei HUANG Rong-Bin ZHENG Lan-Sun |
| Affiliation: | 1. Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China 2. Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;State Key Laboratory for Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005,China |
| Abstract: | 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. |
| Keywords: | 2-thioxo-1 2-dihydrobenzo[d][1 3]thiazin-4-one photoinduced proton-transfer crystal structure |
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