Synthesis,Crystal Structure and Characterization of3-Ethyl-3,4,4a,10a-tetrahydro-2H-1,5-dioxa-3-aza-phenanthren-6-one:C_(13)H_(13)NO_3  

作　　者：黄金 李胜 刘鹏 傅佳骏 王瑛 

机构地区：[1]School of Chemical Engineering,Nanjing University of Science and Technology

出　　处：《Chinese Journal of Structural Chemistry》2013年第10期1503-1508,共6页结构化学（英文）

基　　金：Supported by NNSFC(No.20974045)

摘　　要：3-Ethyl-3,4,4a, 10a-tetrahydro-2H- 1,5-dioxa-3-aza-phenanthren-6-one （C13H13NO3, Mr = 231.24） was synthesized and characterized by FT-IR, H NMR spectra, and thermal analysis. The crystal structure was determined by X-ray single-crystal diffraction. It crystallizes in methanol. The crystal is of orthorhombic system, space group Pbca with a = 8.9250（18）, b = 12.605（3）, c = 20.552（4） A, Z = 8, V = 2312.1（8） A3, Dc = 1.329 mg/m3, p = 0.095 mm-, F（000） = 976, R = 0.0583 and wR = 0.1340. Thermal analysis reveals that it is stable below 100 C. Fluorescence spectra analysis shows that its fluorescence intensity is twice as that of 7-hydroxylcoumarin in methanol solution with the same concentration.3-Ethyl-3,4,4a, 10a-tetrahydro-2H- 1,5-dioxa-3-aza-phenanthren-6-one （C13H13NO3, Mr = 231.24） was synthesized and characterized by FT-IR, H NMR spectra, and thermal analysis. The crystal structure was determined by X-ray single-crystal diffraction. It crystallizes in methanol. The crystal is of orthorhombic system, space group Pbca with a = 8.9250（18）, b = 12.605（3）, c = 20.552（4） A, Z = 8, V = 2312.1（8） A3, Dc = 1.329 mg/m3, p = 0.095 mm-, F（000） = 976, R = 0.0583 and wR = 0.1340. Thermal analysis reveals that it is stable below 100 C. Fluorescence spectra analysis shows that its fluorescence intensity is twice as that of 7-hydroxylcoumarin in methanol solution with the same concentration.

关 键 词：crystal growth fluorescence coumarin derivatives bezoxazine 

分 类 号：O76[理学—晶体学]