【摘 要】
：
3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazine, C16H11N5O3S, was prepared by the cyclization of 3-(2-hydroxyphenyl)-4-amino-5
【机 构】
：
School of Chemistry and Materials Science,Department of Biology and Chemistry ,College of Chemistry
论文部分内容阅读
3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazine, C16H11N5O3S, was prepared by the cyclization of 3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazole with 2-bromo-4-nitroacetophenone. The compound was characterized by means of elemental analysis, IR, 1H NMR, 13C NMR, mass spectrometry, and X-ray diffraction. The compound crystallizes in a monoclinic system with space group Cc, a=2.1853(4) nm, b=2.1192(5) nm, c=1.3526(3) nm, β=95.21(2)°, V=6.238(2) nm3 , Dcalcd.=1.505 Mg/m3, Z=16, F(000)=2916, R1=0.0501, wR2=0.0427. A comparison between the crystal structures of 1,2,4-triazolo[3,4-b] [1,3,4] thiadiazine and 1,2,4-triazolo[3,4-b][1,3,4] thiadiazole was made in the structural view. A two-dimensional network is formed by hydrogen bonds and π-π stacking interactions.
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