含吡唑啉酮酰肼类衍生物的合成与结构  

Synthesis and Crystal Structure of the Derivants of Hydrazide Containing Pyrazolone

作　　者：刘浪[1] 贾殿赠[1] 乔永民[1] 郁开北[2] 

机构地区：[1]新疆大学应用化学研究所, [2]中国科学院成都分院分析测试中心,

出　　处：《化学学报》2001年第9期1495-1501,共7页Acta Chimica Sinica

基　　金：国家自然科学基金

摘　　要：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=O.9024(2)nm,b=1.0953(2)nm,c=1.1635(2)nm,α=67.070(10)°,β=68.200(10)°,y=84.770(10)°,V=0.9816(3)nm3,Z=2,Dc=1.345g/cm3,μ=0.090 mm-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)nm3,Z=4,Dc=1.338g/cm3,μ=0.090 mim-1,F(000)=896,R=O.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的形式存在.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 P (1) over bar. The unit cell parameters are a = 0.9024(2) mn, b = 1.0953 (2) nn, c = 1.1635(2) nm, alpha =67.070(10)degrees, beta =68.220(10)degrees, gamma =84.770(10)degrees, V=0.9816(3) nm(3), Z=2, D-c = 1.345 g/cm(3), mu =0.090 mm(-1), F(000)=416. The crystal structure of PMBP-PAH belongs to monoclinic system with space group P(2)1/c. The unit cell parameters are a = 1.2715(4) nm, b = 0.91710 (10) nm, c=1.8979(3) nm, beta =106.890(10)degrees, V=2.1177(8) nm(3), Z=4, D-c =1.338 g/cm(3), mu =0.090 mm(-1), F (000) = 896, R = 0.0414, wR = 0.0972.

关 键 词：1-苯基-3-甲基-4-苯甲酰基-吡唑啉酮-5 烟酰肼 对甲氧基苯甲酰肼 晶体结构 合成 光致变色 

分 类 号：O626[理学—有机化学]