| Synthesis and Crystal Structure of N,N''''-Diphenyl-3, 6-diethyl-1,4-dihydro-s-tetrazine-1,4-dicarbonamide |
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| 引用本文： | 孙雅泉,胡惟孝,袁庆. Synthesis and Crystal Structure of N,N''''-Diphenyl-3, 6-diethyl-1,4-dihydro-s-tetrazine-1,4-dicarbonamide[J]. 结构化学, 2004, 23(1) |
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| 作者姓名： | 孙雅泉 胡惟孝 袁庆 |
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| 作者单位： | Institute of Pharmaceutical Engineering，Zhejiang University of Technology，Hangzhou，Zhejiang 310014，China |
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| 基金项目： | the NNSFC (No. 20272053) and Science and Technology Bureau (011101937) of Zhejiang province |
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| 摘 要： | 1INTRODUCTIONIthasbeenarousedmoreandmoreinterestsinces-tetrazinewasfirstsynthesizedbyHautgschin1900[1].Thesynthesisofdihydroderivativeof3,6-dimethyl-s-tetrazinewasreportedindetailbySkorianetz[2].UsingX-ray,Jennison[3]foundthat1,6-dihydro-s-tetrazinehashom…
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Synthesis and Crystal Structure of N,N''''-Diphenyl-3,6-diethyl-1,4-dihydro-s-tetrazine-1,4-dicarbonamide |
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| Abstract: | The crystal structure of the title compound N,N-bisphenyl-3,6-diethyl-1,4- dihydro-s-tetrazine-1,4-dicarbonamide (C20H22N6O2, Mr = 378.44) has been prepared and determi- ned by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbca with a = 16.287(2), b = 11.347(4), c = 20.975(4) ? V = 3876.4(16) ?, Z = 8, Dc = 1.297 g/cm3, F(000) = 1600, m = 0.088 mm-1, MoKa radiation (l = 0.71073 ?. The structure was refined to R = 0.0337 and wR = 0.1038 for 1952 observed reflections with I > 2s(I). X-ray diffraction analysis reveals that two amide groups are located at the 1 and 4 positions, and the tetrazine ring itself shows a boat conformation. |
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| Keywords: | dihydro-s-tetrazine 1 4-s-tetrazine N N'-diphenyl-3 6-diethyl-1 4-dihydro-s- tetrazine-1 4-dicarbonamide crystal structure |
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