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化学学报
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化学学报 ›› 2001, Vol. 59 ›› Issue (9): 1495-1501. 上一篇    下一篇

研究论文

含吡唑啉酮酰肼类衍生物的合成与结构

刘浪;贾殿赠;乔永民;郁开北   

  1. 新疆大学应用化学研究所;中国科学院成都分析测试中心.成都(610041)
  • 发布日期:2001-09-15

Synthesis and crystal structure of the derivants of hydrazide containing pyrazolone

Liu Lang;Jia Dianzeng;Qiao Yongmin;Yu Kaibei   

  1. Chengdu Center of Anal & Measur, CAS.Chengdu(610041)
  • Published:2001-09-15

PDF

425

被引次数

28 | 5

报道了PMBP-NTH(NTH为烟酰肼)与PMBP-PAH(PAH为对甲氧基苯甲酰肼)的合成、表征和晶体结构分析，PMBP-NTH晶体属三斜晶系，具有P1空间群，a=0.9024(2)nm,b=1.0953(2)nm,c=1.1635(2)nm,α67.070(10)°,β=68.220(10)°,γ=84.770(10)°,V=0.9816(3)nm^3,Z=2,Dc=1.345g/cm^3,μ=0.090mm^-1,F(000)=416,R=0.0363,ωR=0.0870.PMBP-PAH属单斜晶系,具有P21/c空间群,a=1.2715(4)nm,b=0.91710(10)nm,c=1.8979(3)nm,β=106.890(10)°,V=2.1177(8)nm^3,Z=4,Dc=1.338g/cm^3,μ=0.090mm^-1,F(000)=896,R=0.0414,ωR=0.0972.这两个化合物在分子内都形成了大的共轭体系,由于分子间氢键力的作用,又使它们在晶体中以二聚体形式存在.

关键词: 吡唑酮P, 吡唑啉P, 晶体结构, 烟酰肼, 氢键

The synthesis and crystal structure of PMBP-NTH and PMBP-PAH are presented in this paper. The crystal structures were determined by X- ray single crystal diffraction. Crystal structure of PMBP-NTH belongs to triclinic system with space group P1. The unit cell parameters are a=0.9024(2)nm, b=1.0953(2)nm, c=1.1635(2)nm, α67.070(10)°,β=68. 220(10)°, γ=84.770(10)° ,V=0.9816(3)nm^3, Z=2, Dc=1.345g/cm^3, μ=0. 090mm^-1, F(000)=416. The crystal structure of PMBP-PAH belongs to monoclinic system with space group P21/c. The unit cell parameters are a=1.2715(4)nm, b=0.91710(10)nm, c=1.8979(3)nm, β=106.890(10)°, V=2.1177(8)nm^3, Z=4, Dc=1.338g/cm^3, μ=0.090mm^-1, F(000)=896, R=0. 0414, ωR=0.0972.

Key words: PYRAZOLONE P, PYRAZOLINE P, CRYSTAL STRUCTURE, HYDROGEN BONDS

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