Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Computed Properties of C10H10O, 1896-62-4, Name is (E)-4-Phenylbut-3-en-2-one, molecular formula is C10H10O, belongs to isothiazole compound. In a document, author is Wang Xiang-Hui, introduce the new discover.
Synthesis, Bioactivity and Crystal Structure Analysis of N-(2-ethoxyphenyl)3-oxobenzo[d]isothiazole-2(3H)-carboxamide
The title compound N-(2-ethoxyphenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide (C16H14N2O3S, M-r = 314.35) has been synthesized and structurally characterized by IR, H-1 NMR and single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P (1) over bar with a = 4.6395(15), b = 8.689(3) angstrom, c = 17.917(7) angstrom, alpha = 87.763(9), beta = 84.625(9), gamma = 82.344 (9)degrees, V = 712.4(4) angstrom(3), Z = 2, D-c = 1.465 Mg.m(-3), lambda(MoKa) = 0.71073 angstrom, F(000) = 328, mu(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 > 2 sigma(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)center dot center dot center dot O(1), N(2)-H(2N)center dot center dot center dot O(3) and C(10)-H(10)center dot center dot center dot O(2) were observed. The preliminary biological 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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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com