Fifteen novel 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl benzoates were synthesi- zed by the condensation of 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one with substituted benzoic acids in dichloromethane. All the compounds were characterized by elemental analysis, IR, ESI-MS and 1H NMR. The crystal structures for 2-（2-hydroxyethyl）benzo[d]isothiazol-3（2H）-one （2） and 2-（3-oxobenzo[d]isothiazol-2（3H）-yl）ethyl 2-methoxybenzoate （30） have been determined by X-ray crystal structure analysis. Compound 2 （C9H9NO2S） crystallizes in the monoclinic system, space group Pn with a = 10.552（3）, b = 7.849（2）, c = 10.765（4） A, β = 103.128（4）°, V= 868.3（5） A3, Mr = 195.24, Dc = 1.493 Mg.m-3, μ = 0.33 mm-1, F（000） = 408, Z = 4, R= 0.0314 and wR= 0.0628. Compound 30 （C17H15NO4S） crystallizes in the triclinic system, space group P1 with a = 8.028（2）, b = 9.300（2）, c = 10.430（3）A, V= 752.1（3）A3, Mr = 329.36, D,= 1.454 Mg.m-3, p = 0.24 mm-1, F（000） = 344, Z = 2, R = 0.0377 and wR = 0.0904. The preliminary biological test indicated that the title compounds show better growth inhibitory activity against the gram-positive bacteria than the gram-negative bacteria.
Two compounds,3-oxo-N-o-tolylbenzo[d]isothiazole-2（3H）-carboxamide （1） and N-（2-methoxyphenyl）-3-oxobenzo[d]isothiazole-2（3H）-carboxamide （2）,were synthesized from the initial compound benzo[d]isothiazol-3（2H）-one （BIT） and characterized by 1 H NMR,IR and elemental analysis,respectively.The single crystals of compounds 1 and 2 were obtained and determined by X-ray diffraction analysis.The preliminary results of biological activity experiment show that some of the title compounds exhibited a favorable antimicrobial activity.
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.
