The Crystal Structure of N-Benzoyl-N''-(2-hydroxyethyl)-thiourea

Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ＞26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond controlled coordination behaviors of these potentially bidentate ligands. In the coordination compound reported by Bourne et al.,cis-bis(N-benzoyl-N'-propylthiourea)dichloroplatinum(Ⅱ), the two ligand molecules bind to Pt(Ⅱ)via the sulfur atoms only, the carbonyl oxygen atom being locked into hydrogen bond similar to that in the free ligands.     

Synthesis under Micromave Irradition and Crystal Structure of 4''-Acetylbenzo-15 -crown-5thiosemicarbazone

The title compound is a bifunctional receptors including a thiourea group and a crown ether ring. Due to many possible potentials as a new class of reagents for membrane transports,ion-selective electrodes as well as reaction catalysts, the design and synthesis of bifunctional receptors for simultaneous binding of cations and anions is of ongoning interest in srprarnolecular chemistry1-5. In bifunctional receptors, the binding sites for anions and cations are covalently linked so as to exhibit allosteric or cooperative complexation where the binding affinity for anions(cations)is modified as a result of the cation(anion) complexation.Literature[6] reported that the ability of the thiourea group to bind anions is significantly enhanced when Na+ is bound to the crown moiety. To date, however only a few receptors of this class have been reported.6-8In this paper, we report an improved procedure under microwave irradiation that gives higher yields of title compound and needs fewer reaction times than traditional method.The structure of this compound was determined by IR ,element analysis and X-ray analysis.Scheme 1 The reaction equationThe crystal belongs to triclinic crystal system, P-1 space group, a=0.9547(0)nm, b=1.3637(3)nm,c=1.6029(3)nm, α =75.33(3) , β =83.62(3) , γ =70.99(3) ,Z=4,Dc=1.335g/cm3,F(000)=816,R1= 0.0557 ,wR2=0.1281. It is assembled into a three-dimensionalsupramolecule by intermolecular hydrogen bonds.     

模拟纳米晶体原子分布及X射线散射理论图案

通过分子动力学方法模拟纳米晶体（1—3nm）的结构．利用模拟的结果，进行了X射线衍射及径向分布函数的模拟计算．结果表明：纳米晶体晶界呈短程有序，界面原子间距分布很宽；随着晶粒尺寸的减小，晶粒的畸变越大，原子体积常数也明显增大 关键词：     

Two Convergence Problems for Monotone Sequences

Eight measures of rate of convergence of monotone sequences of real numbers have been proposed and discussed in a paper by Beyer, Ebanks, and Qualls (Acta Appl. Math. 20 (1990), 267–284). These rates arose in discussions of dynamical systems. In the comparisons of these rates, two problems remained. A complete answer is given to one of the problems and a partial answer is given to the other problem.     

Viterbi译码器的硬件实现

介绍了一种Vkerbi译码器的硬件实现方法。设计的基于硬判决的Viterbi译码器具有约束长度长（9)、译码深度深（64)的特点。为了兼顾硬件资源与电路性能两个方面，在设计中使用了4个ACS单元，并根据Xilinx Virtex系列FPGA的结构特点．利用FPGA内部的BlockRAM保存汉明距离和幸存路径，提高了译码速度。     

激光辐照对不同饵料微藻生长的影响

利用Nd:YAG激光(波长1.06μm,功率5W,照射时间0.5-3min)和Ar 激光(波长:488nm,功率70mw,照射时间5-20min)分别照射角毛藻和叉鞭金藻,辐照后进行细胞增殖和生长速率的测定。实验结果表明:照射剂量为1min的Nd:YAG激光及剂量为5min的Ar 激光对叉鞭金藻有较明显的促长效果,这两种激光处理组的细胞增殖量在辐照后的两天内较对照组分别高42.9%和48.1%,但这种促长效果随时间的推移逐渐消失。不同剂量的两种激光辐照角毛藻后,在延滞期均出现生长抑制现象,但进入指数生长期或传代培养后,剂量为1min的Nd:YAG激光及剂量为10min的Ar 激光对角毛藻有明显的促长效果,其中在指数生长期1min剂量的Nd:YAG激光处理可促长27.0%,传代培养后10min的Ar 激光处理组生长速率提高达51.2%。本文对不同激光及不同激光参数条件下,两种饵料藻的耐受性及生长特性的差异也进行分析探讨。本实验结果不仅证实了已有研究的推论,还展示出激光技术在饵料藻种选育中的应用前景。     

γ-LiAlO2晶体生长、改性和热学性质研究

采用快速提拉法生长出了透明、完整的γ-LiAlO2晶体,但是晶体的高熔点和易挥发性限制了γ-LiAlO2晶体质量.采用气相传输平衡法(vapor transport equilibration technique,VTE)工艺对晶体改性,半高宽(FWHM)值从116.9arcsec降至44.2arcsec,继续升高VTE处理温度至1300℃,FWHM值反而升高至55.2arcsec.快速提拉法生长出来晶体,[100]方向和[001]方向的热膨胀系数分别为17.2398×10-6/K,10.7664×10-6/K.经过三步VTE处理后[100]和[001]方向热膨胀系数降至16.6539×10-6/K和10.1784×10-6/K.     

专用超大规模集成电路在LED显示系统中的应用

自1976年蒙特利尔奥运会采用了第一块黑白视频显示屏以来，各种大屏幕特别是LED显示屏得到了迅猛发展，在现代信息社会中更是随处可见。在这些显示系统中，应用了大量的不同种类的集成电路作为驱动芯片。本文叙述了运用于LED显示系统中的超大规模集成电路的强大功能。     

碳纳米管及其批量制备研究进展

从碳纳米管的优异性能和应用出发,综述了碳纳米管的制备方法以及我国目前在碳纳米管研究中面临的问题;分析了碳纳米管产业化对的我国纳米技术产业化发展的积极意义,特别介绍了清华-南风纳米粉体产业化工程中心开发的、具有我国自主知识产权的纳米聚团流态化技术。     

可见光共振腔发光二极管的研究进展

共振腔发光二极管是一种具有优良发光性能的光电器件。概述了对可见光共振腔发光二极管的共振腔结构、反射镜材料体系、基本工作机理和发光特性，并展望了这种器件的发展前景。