| Synthesis,Bioactivity and Crystal Structure Analysis of N-（2-ethoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide |
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| 引用本文： | 王向辉,杨建新,林强.Synthesis,Bioactivity and Crystal Structure Analysis of N-（2-ethoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide[J].结构化学,2012(5):758-762. |
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| 作者姓名： | 王向辉 杨建新 林强 |
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| 作者单位： | [1]Institute of Environmental Science and Engineering,Kunming University of Science and Technology, Kunming 650093, China [2]Hainan Provincial Fine Chemical Engineering Center, Department of Materials and Chemical Engineering, Hainan University, Haikou 570228, China [3]Institute of Chemistry and Chemical Engineering,Hainan Normal University, Haikou 571100, China |
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| 基金项目： | Supported by the National Natural Science Foundation of China （No. 20962007） |
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| 摘 要： | The title compound N-(2-ethoxyphenyl)-3-oxobenzod]isothiazole-2(3H)-carboxa-mide(C16H14N2O3S,Mr = 314.35) has been synthesized and structurally characterized by IR,1H NMR and single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P with a = 4.6395(15),b = 8.689(3),c = 17.917(7),α = 87.763(9),β = 84.625(9),γ = 82.344(9)°,V = 712.4(4)3,Z = 2,Dc = 1.465 Mg·m-3,λ(MoKa) = 0.71073,F(000) = 328,μ(MoKa) = 0.242 mm-1,the final R = 0.038 and wR = 0.089.A total of 3702 unique reflections were collected,of which 2762 with I > 2σ(I) were observed.X-ray analysis revealed that the benzisothiazolone ring and benzene moieties were essentially planar,and three intramolecular hydrogen bonds N(2)-H(2N)…O(1),N(2)-H(2N)…O(3) and C(10)-H(10)…O(2) were observed.The preliminary biologi-cal test showed that the title compound had antifungal and antibacteria activities against Bacillus subtilis(CMCC63003),Aeromonas hydrophila(ATCC7966),Staphylococcus aureus(ATCC6538),Escherichia coli(JM103),Blastomyces albicans,Gloeosporium papaya P.Henn,Colletotrichum gloeosporioides Penz and Botryodiplodia theobromae.
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| 关 键 词： | benzisothiazolone synthesis crystal structure coplanar |
Synthesis,Bioactivity and Crystal Structure Analysis of N-（2-ethoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide |
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| WANG Xiang-Hui,YANG Jian-Xin,LIN Qiang.Synthesis,Bioactivity and Crystal Structure Analysis of N-（2-ethoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide[J].Chinese Journal of Structural Chemistry,2012(5):758-762. |
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| Authors: | WANG Xiang-Hui YANG Jian-Xin LIN Qiang |
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| Affiliation: | (a.Institute of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China; b.Hainan Provincial Fine Chemical Engineering Center, Department of Materials and Chemical Engineering, Hainan University, Haikou 570228, China; c.Institute of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571100, China) |
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| Abstract: | The title compound N-（2-ethoxyphenyl）-3-oxobenzod]isothiazole-2（3H）-carboxa-mide（C16H14N2O3S,Mr = 314.35） has been synthesized and structurally characterized by IR,1H NMR and single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P with a = 4.6395（15）,b = 8.689（3）（A°）, c=17.917（7）（A°）α=87.763（9）,β = 84.625（9）,γ = 82.344（9）°,V = 712.4（4）（A°）^3,Z = 2,Dc = 1.465 Mg·m^-3,λ（MoKa） = 0.71073,F（000） = 328,μ（MoKa） = 0.242 mm-1,the final R = 0.038 and wR = 0.089.A total of 3702 unique reflections were collected,of which 2762 with I 〉 2σ（I） were observed.X-ray analysis revealed that the benzisothiazolone ring and benzene moieties were essentially planar,and three intramolecular hydrogen bonds N（2）-H（2N）…O（1）,N（2）-H（2N）…O（3） and C（10）-H（10）…O（2） were observed.The preliminary biologi-cal test showed that the title compound had antifungal and antibacteria activities against Bacillus subtilis（CMCC63003）,Aeromonas hydrophila（ATCC7966）,Staphylococcus aureus（ATCC6538）,Escherichia coli（JM103）,Blastomyces albicans,Gloeosporium papaya P.Henn,Colletotrichum gloeosporioides Penz and Botryodiplodia theobromae. |
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| Keywords: | benzisothiazolone synthesis crystal structure coplanar |
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