Synthesis and structural characterization of 3-thienyl alkyl imides

Five new thiophene imides having the structures C₄H₃SC(O)N(H)C(O)R (where R=Me, Et, Pr, t-Bu, 1-4) and C₄H₃SCH₂C(O)N(H)C(O)CH₃5 have been prepared. Control over the orientation of the carbonyl groups was achieved by the introduction of a bulky group in the terminal position of the side chain, and molecular modeling calculations indicated that the energy difference between the ct and tt conformations is small. The acidity of 1-4 decreases from Me to t-Bu, and, although 1-4 will not undergo oxidative polymerization, the introduction of a single spacer CH₂ group allows 5 to polymerize.     

3,3,6,6-四甲基-9-邻氯苯基-1,8-二氧代-3,4,5,6,7,9-六氧化氧杂蒽的合成和晶体结构

标题化合物C23H25对O3Cl是由邻氯苯甲醛与5，5-二甲基1，3-环己二酮在N，N-二甲基甲酸腹中反应而得。结构通过单晶X-射线衍射法确定，其晶体属于单科晶系，空间群=1632。晶体结构用直接法解出，使用全矩阵最小二乘法对原子参数进行修正，最后的偏离因子为R=0．054，Rw一0．063。在晶体结构中，吡喃环与苯环之间的两面角为92．43°。     

二(三甲硅基环戊二烯基)二氯合锆的合成和晶体结构

在 THF中 ,通过三甲硅基环戊二烯基锂与四氯化锆反应合成了标题化合物 ,经元素分析 ,IR和 1 H NMR谱表征了其结构 ,并用 X-射线衍射测定了晶体结构 ,该晶体属于三斜晶系 ,空间群为 P1 ,晶体学参数 :a=0 .6787(6) ,b=1 .2 92 4 (2 ) ,c=1 .30 34(2 ) nm,α=67.83(1 ) ,β=82 .50 (3) ,γ=75.64 (3)°,V=1 .0 2 5nm3 ,Z=2 ,Dx=1 .41 5 g· cm-3 ,μ=8.989cm-1 ,F (0 0 0 ) =448,R=0 .0 32。质谱研究表明 ,化合物在质谱过程中发生二聚 C*p2 ZrClZr C*P2Cl(C*P=C5H4Si Me3 )。     

Interaction of 4-Isopropoxalyl-1,5-diphenyl-2,3-dihydro-2,3-pyrroledione with Thiosemicarbazide: Synthesis and Crystal and Molecular Structure of (3aS*)(4R*)(6aR*)-4,6a-dihydroxy-4-isopropoxycarbonyl-1-thiocarbamoyl-3,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-d]pyrazol-6-one

4-Isopropoxalyl-1,5-diphenyl-2,3-dihydro-2,3-pyrroledione reacts with thiosemicarbazide to form (3aS*)(4R*)(6aR*)-4,6a-dihydroxy-4-isopropoxycarbonyl-1-thiocarbamoyl-3,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-d]pyrazol-6-one. The molecular and crystal structure of the latter was studied by single crystal X-ray diffraction.     

非线性光学材料──水草酸铵

一水草酸铵（简称ＡＯＭ）是一种优良的电光晶体￣［１］。文献￣［１，２］报道了该晶体的晶体结构，化学式为（ＮＨ＿４）＿２Ｃ＿２Ｏ＿２·Ｈ＿２Ｏ，属正交晶系，Ｐ２２２空间群，晶胞参数ａ＝０．８０３５ｎｍ，ｂ＝１。０３１ｎｍ，ｃ＝０．３８０１ｎｍ，ｚ＝２。本文拟报道ＡＯＭ单晶生长，热化学分析，透过波段以及非线性光学性质的初步研究。     

A Two-dimensional Lanthanide Coordination Framework with a New Amide-type Tripodal Ligand, 2,2′,2＂-Nitrilotris{[（2′- benzylaminoformyl）phenoxy]ethyl}amine

The La(III) complex with a new amide‐type tripodal ligand,2,2′.2″‐nitrilotris{[(2′‐benzylaminofomyl)‐phenoxylethyl)amine (L), was synthesized and characterized by X‐ray crystallographic analysis. Crystal data: C₄₈H_55.50LaN₇O_18.75, M_r=1169.40, monoclinic. space group, P2₁/n, a= 1.0644(3) nm. b=2.3889(5) nm, c= 2.1917(5) nm, β=90.65°, V=5.573(2) nm³, Z=1, D_c=1.394 g°cm^?3, R₁=0.0487, wR [1>2s?(I)]=0.1266. The results reveal that each La(III) ion binds to 9 oxygen atoms, three of which belong to carbonyl groups from three tripodal ligands and six to three bidentate nitrate groups and a two‐dimensional sheet of 4.8² networks is assembled by metal‐ligand coordination interaction. L, a heptadentate compound, merely acts as a tridentate bridging spacer due to its steric hindrance and links the La(III) ions as three‐connected nodes.     

Synthesis and Characterization of ChiralLiquid Crystal CMPPCDP

ＳｙｎｔｈｅｓｉｓａｎｄＣｈａｒａｃｔｅｒｉｚａｔｉｏｎｏｆＣｈｉｒａｌＬｉｑｕｉｄＣｒｙｓｔａｌＣＭＰＰＣＤＰＴＩＡＮＹａｎ－ｑｉｎｇ，ＺＨＡＯＹｉｎｇ－ｙｉｎｇ，ＳＵＦｅｎｇ－ｙｕａｎｄＴＡＮＧＸｉｎ－ｙｉ（ＤｅｐａｒｔｍｅｎｔｏｆＣｈｅｍｉｓｔ...     

石英晶体微天平技术研究纳米TiO_2表面Cu(Ⅱ)吸附与光化学还原过程

环境中排放的重金属离子Cu!对水生和陆生生物有强的毒害性。饮用水中Cu!的浓度高于1.0mg·L-1时,将会导致人畜得血色沉着病和胃肠粘膜病[1]。Cu!无法进行生物降解,除去废水中Cu!的常见方法有离子交换、置换、化学沉淀等[2],然而这些方法需要消耗大量的化学试剂,成本高。近来,研     

顺式-二(乙二胺)二硝基合钴(Ⅲ)苹果酸盐的晶体结构及手性识别

合成了标题化合物，并用X-射线衍射法确定了该分子的晶体结构。化合物Δ（λλ），Λ（δδ）－cis－[Co（en）2（NO2）2]2d，l-C4H4O5，Co2C12N12O13H22，Mr=657．94．晶体属单斜晶系，空间群为P21/c，晶胞参数：a=13．969（4），b=6.440（1），c＝14．408（4）A，β=94.37（1）°，V=1292．3A3，Z=2，Dc=1．69g／cm3，μ=105.833cm－1，F（000）=668.最终偏离因子R=0.066，Rw=0．085。结构分析表明晶体存在无序现象，其阴离子C4H4O52-有两种排列方式。R-构型和S-构型的几率各为50％，手性识别是通过Δ构型的阳离子与阴离子R-构型C原子上羟基氧形成氢键相互作用；Λ构型的阳离子与阴离子S-构型C原子上羟基氧形成氢键相互作用而实现的。     

Conformations of fold part in isotactic polypropylene lamella with diamond lattice model

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