The title compound N-（2-ethoxyphenyl）-3-oxobenzo[d]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.Th...The title compound N-（2-ethoxyphenyl）-3-oxobenzo[d]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.展开更多
基金Supported by the National Natural Science Foundation of China (No. 20962007)
文摘The title compound N-（2-ethoxyphenyl）-3-oxobenzo[d]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.
