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

作　　者：王瑾玲[1] 杨云[1] 李爱秀[2] 缪方明[1] 

机构地区：[1]天津师范大学化学与生命学院,天津300074 [2]中国人民解放军武警部队医学院,天津300162

出　　处：《化学研究与应用》2003年第2期237-240,共4页Chemical Research and Application

基　　金：天津市21世纪青年基金资助项目(003700711)

摘　　要：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.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.

关 键 词：4-双(1-苯基-3-甲基-4-吡唑啉-5-酮)甲烷 晶体结构 共轭体系 单晶X-射线衍射 

分 类 号：O626.21[理学—有机化学]