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1、2003年第61卷化学学报Vol.61,2003第6期,893～900ACTACHIMICASINICANo.6,893～90042(2′2羟基苯甲酰肼)苯亚甲基/亚乙基252甲基222苯基22,42二氢-吡唑啉酮23超分子化合物的合成与晶体结构aaΞ,ab①刘浪吉亚丽贾殿赠郁开北a(新疆大学应用化学研究所乌鲁木齐830046)b(中国科学院成都分院分析测试中心成都610041)摘要报道了42(2′2羟基苯甲酰肼)苯亚甲基252甲基222苯基22,42二氢-吡唑啉酮23(B1)和42(2′2羟基
2、苯甲酰肼)亚乙基252甲基222苯基22,42二氢-吡唑啉酮23(B2)的合成、表征及晶体结构分析,B1晶体属单斜晶系,C2/c空间群,所得晶胞参数3为:a=1.4201(2)nm,b=1.65542(2)nm,c=1.8455(3)nm,β=101.32(1)°,V=4.2541(10)nm,Z=8,Dc=1.344g/3-1cm,μ=0.094mm,F(000)=1808,R=0.0442,wR=0.1037.该化合物由水分子通过氢键连接成沿ac面无限延伸的二维网络结构的超分子.B2晶体属三
3、斜晶系,P1空间群,a=1.2120(2)nm,b=1.2223(2)nm,c=1.4159(3)nm,α=70.3833-1(1)°,β=74.91(1)°,γ=63.64(1)°,V=1.7549(5)nm,Z=4,Dc=1.326g/cm,μ=0.092mm,F(000)=736,R=010436,wR=0.1076.此化合物通过分子间氢键形成沿a轴无限延伸的一维链状结构的超分子,由于分子间的作用力使其分子又沿b轴呈层状堆积.关键词吡唑啉酮,水杨酰肼,晶体结构SynthesisandCry
4、stalStructureofSupramolecularCompoundof42(2′2Hydroxybenzoylhydrazinyl)benzal/ethylidene252methyl222phenyl22,42dihydropyrazol232oneaaΞ,abLIU,LangJI,Ya2LiJIA,Dian2ZengYU,Kai2Beia(InstituteofAppliedChemistry,XinjiangUniversity,Urumqi830046)b(AnalyticalC
5、enter,ChengduBranchofChineseAcademyofSciences,Chengdu610041)AbstractThesynthesisandcrystalstructureof42(2′2Hydroxybenzoylhydrazinyl)benzal252methyl222phenyl22,42dihydropyrazol232one(B1)and42(2′2hydroxybenzoylhydrazinyl)ethylidene252methyl222phenyl22,
6、42dihydropyrazol232one(B2)arepresentedinthispaper.ThecrystalstructuresweredeterminedbyX2raysinglecrystaldiffractionstudy.CrystalstructureofB1belongstomonoclinicsystemwithspacegroupC2/c.Theunitcellparametersarea=1.4201(2)nm,b=1.65542(2)33-1nm,c=1.8455
7、(3)nm,β=10132(1)°,V=4.2541(10)nm,Z=8,Dc=1.344g/cm,μ=0.094mm,F(000)=1808,R=0.0442,wR=0.1037.Thewatermoleculesbridgetheadjacentstacksbythehydrogenbondsleadingtotheformationofsupramolecularcompoundwithtwo2dimensionalnetworkstructurealongtheacside.Thecry
8、stalstructureofB2belongstotriclinicsystemwithspacegroupP1.Theunitcellparametersarea=1.2120(2)nm,b=1.2223(2)nm,c=11415933(3)nm,α=70.38(1)°,β=74.91(1)°,γ=63.64(1)°,V=1.7549(5)nm,Z=4,Dc=1.326g/cm,μ=-10.092mm,F(000)=736,R=0.0436,wR=0.1076.Thesupramolecul
