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4-双(1-苯基-3-甲基-4-吡唑啉-5-酮)甲烷的晶体结构

Crystal structure of the 4-cis(1-phenyl-3-methyl-4-pyrazyol-5-one)methane

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【作者】 王瑾玲杨云李爱秀缪方明

【Author】 WANG Jinling1,YANG Yun1,2,LI Aixiu3,MIAO Fangming1(1.College of Chemical and Life,Tianjing Normal University,Tianjin 300074,China;2.Tianjin University of Commerce China,Tianjin 300134,China;3.Medieal Collage of Chinese Peoples Armed Police Forces,Tianjin 300162,China)

【机构】 天津师范大学化学与生命学院中国人民解放军武警部队医学院天津师范大学化学与生命学院 天津 300074天津 300074天津工商大学天津 300134天津 300162

【Abstract】 The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,which indicated that these two planes roughly coplanar to each other forming a big conjugate system.

【基金】 天津市21世纪青年基金资助项目(003700711)
  • 【文献出处】 化学研究与应用 ,Chemical Research and Application , 编辑部邮箱 ,2003年02期
  • 【分类号】O626
  • 【下载频次】55
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