| Crystal and Molecular Structure of N，N－Bis（2－chloroethyl）－N＇－isopropyl－N＂－phenyl Thioureido Phosphoramide |
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| 作者姓名： | Chen Ru-Yu Wang Hui-Lin Zhou Jia |
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| 作者单位： | Chen Ru-Yu; Wang Hui-Lin; Zhou Jia (Institute of Elemento-Organic Chemistry,Nankai University,Tianjin,300071)Wang Ru-Ji; Wang Hong-Gen (Central Laboratory,Hankai Universily,Tianjin,300071) |
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| 摘 要： | ＣｒｙｓｔａｌａｎｄＭｏｌｅｃｕｌａｒＳｔｒｕｃｔｕｒｅｏｆＮ,Ｎ－Ｂｉｓ（２－ｃｈｌｏｒｏｅｔｈｙｌ）－Ｎ＇－ｉｓｏｐｒｏｐｙｌ－Ｎ＂－ｐｈｅｎｙｌＴｈｉｏｕｒｅｉｄｏＰｈｏｓｐｈｏｒａｍｉｄｅＣｈｅｎＲｕ－Ｙｕ;ＷａｎｇＨｕｉ－Ｌｉｎ;ＺｈｏｕＪ...
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Crystal and Molecular Structure of N,N-Bis(2-chloroethyl)-N'-isopropyl-N"-phenyl Thioureido Phosphoramide |
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| Chen Ru-Yu, Wang Hui-Lin, Zhou Jia.Crystal and Molecular Structure of N,N-Bis(2-chloroethyl)-N'-isopropyl-N"-phenyl Thioureido Phosphoramide[J].Chinese Journal of Structural Chemistry,1994(4). |
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| Authors: | Chen Ru-Yu Wang Hui-Lin Zhou Jia |
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| Abstract: | The molecular structure of N, N-bis ( 2-chloroethyl )-N'-isopropyl-N"-phenyl thioureido phosphoramide has been determined by X-ray diffraction method. The crystal(C_14H_23Cl_4N_4OPS) is monoclinic with space group P21/n,α=13. 398(2) , b= 10. 351(4), c= 14. 595(3) A, β= 101. 45(1)°, V=1983(2) A3 Mr=397. 31, Z=4, Dx=1. 34 g/cm3 , μ= 5. 17 cm-1, F(000) = 832 , R=0. 056 and Rω=0. 060 for 1856 reflections with I≥3σ(Ⅰ).The chemical shifts of the hydrogen atoms bonded to nitrogen atoms N (4) and N (33 are 10. 96 ppm and 7. 57 ppm respectively locating in the lower field. This abnormal situation can be explained by the formation of intramolecular and intermolecular hydrogen bonds. And the X-ray crystallographic analysis demonstrates the existence of the H-bonding six-membered ring in the structure. |
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| Keywords: | crystal structure chemical shifts phosphoramide antitumor antivirus |
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