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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
【Abstract】 The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,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;
【Key words】 4-cis(1-phenyl-3-methyl-4-pyrazyol-5-one) methane; crystal structure; conjugate system;
【Key words】 4-cis(1-phenyl-3-methyl-4-pyrazyol-5-one) methane; crystal structure; 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