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Crystal Structure of 1,3-Dibenzyl-2-benzylaminothiocarbonyl-1,3,4- diazaphospholidin-5-thione-4-sulfide

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Chinese Journal of Structural Chemistry 2002年第1期21卷 31-33页

作者： CHI Guo-Chen② CHEN Ru-Yu② (institute and National Key Laboratory of Elemento-Organic Chemistry, nankai university, tianjin 300071, china) 南开大学 National Key Laboratory of Elemento-Organic Chemistry 天津 300071

The title compound, C31H30N3OPS3, crystallizes in monoclinic system, space group P21/n,with a = 11.839(7), b = 8.975(5), c = 29.15(2)? b = 100.07(1), V = 3049(3)?, Z = 4, Dc = 1.280g/cm3, Mr = 587.73, F(000) = 1232, m = 0.324mm-1, the final R = 0.0434 and wR = 0.1140 for 4787 observed reflections with I >2s(I). The title compound is a five-membered heterocycle containing a phosphorus, two nitrogen and two carbon *** analysis result shows that the five-membered ring is nearly coplanar. The P(1)N(1) bond length(1.685? indicates the existence of pd?bond between N(1) and P(1) atoms of the title compound.

关键词： phosphorus heterocycle Lawesson抯 reagent crystal structure

BASE－CATALYZED　PROTODESILYLATION　OF　（2H）－PYRI－DAZINON－5－YL　SILYLMETHYL　SULFIDES

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Chinese Chemical Letters 1996年第7期7卷 603-604页

作者： Zheng Jie HE Zheng Ming LI(institute of Elemento-Organic Chemistry, nankai university. tianjin 300071) Inst. of Elemento-Organic Chemistiy Nankai University Tianjin 300071

s:Protodesilylation of(2H)-pyridazinon-5-yl silylmethyl sulfides 1 proceeds smoothly withcleavage of sp3 hybridized carbon-silicon bond in the presence of catalytic amount of sodiumhydroxide at room temperature. The presence of aryl R on silicon atom and (2H)-pyridazinon-5-ylgroup on sulfur atom plays a critical role in the occurrence of this reaction.

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Crystal and Molecular Structure of 1-Phenoxy(α-methyl)acetyl-2-diethylamino-3-phenyl-1,3,2-diazaphospholidin-4-one-2-sulfide

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Chinese Journal of Structural Chemistry 2000年第4期19卷 271-274页

作者： DENG Sheng Lou CHEN Ru Yu * (institute of Elemento Organic Chemistry, nankai university, tianjin 300071) 南开大学天津 30 0 0 71

The crystal of the title compound (C 21H 26N 3O 3PS, M r =431.48) belongs to the monoclinic system space group with P2 1/n, a=13.253(3), b=7.979(2), c=21.475(4), β=97.44(3)°, V=2251.8(9) 3, Z=4, D c =1.273g/cm 3, μ =2 41cm -1, F (000)=912. The final R is 0.0624 and wR is 0.1614 for 3840 observed reflections [ I>2σ(I )]. The results of structure analysis indicate that the five membered heterocycle is coplanar. The P(1)-N(1), P(1)-N(2), P(1)-N(3) bond lengths (1.625, 1.709, 1.694 , respectively) indicate the existence of the d p π bonds between P and nitrogen atoms of the title compound. It also reveals that the configurations of two chiral centers C(31) and P(1) are S and R respectively.

关键词： phosphorus heterocycle crystal structure herbicidal activity

STUDIES　ON　THE　SYNTHESIS　AND　REACTIONWITH　ALKOXIDES　OF　3－OXO－1，2－BENZOISOTHIAZOLINE－2－ACETAMIDE1，1－DIOXIDES

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Chinese Chemical Letters 1996年第6期7卷 509-510页

作者： Guo Feng ZHAO Hua Zbeng YANG(institute of Elemento-Organic Chemistry nankai university, tianjin, 300071) Inst. of Elemento-Organic Chemistry Nankai University Tianjin 300071

New 3 -oxo-benzoisothiazoline-2-acetamide 1, 1-dioxides (IIa-b) ware synthesizedand whose reaction with alkoxides was studied. The reaction results indicated that differentproducts were obtained owing to the different... 详细信息

关键词： OXO OF REACTIONWITH AND ON THE STUDIES ACETAMIDE1 ALKOXIDES

The　Synthesis　and　Biological　Activity　of　N－Arylamino　Carbonyl　Methylene　1，2－Benzothiazine　1，1－Dioxides

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Chinese Chemical Letters 1996年第12期7卷 1087-1088页

作者： Guo Feng ZHAO Hua Zheng YANG(institute of Elemento-Organic Chemistry nankai university, tianjin 300071) Inst. of Elemento-Organic Chemistry Nankai University Tianjin 300071

s: In this paper four new 1.2-benzothiazine 1. 1 -dioxide derivatives 4 were synthesized by the reaction of 4 -ethylenedioxy -2H - 1. 2 -benzothiazine 1. 1-dioxide 2 with 2-chloracetamides 3 under the action of base. ... 详细信息

关键词： Activity Biological and Arylamino Benzothiazine

A molecular dynamics simulation of the structure of ionic liquid (BMIM^+/PF_6^-)/rutile (110) interface

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Science china Chemistry 2009年第9期52卷 1434-1437页

作者： WANG Shu1, CAO Zhen1, LI Shu1 & YAN TianYing1,2 1 institute of New Energy Material Chemistry and Department of Material Chemistry, nankai university, tianjin 300071, china 2 institute of Scientific Computing, nankai university, tianjin 300071, china institute of New Energy Material Chemistry and Department of Material Chemistry Nankai University Tianjin China institute of Scientific Computing Nankai University Tianjin China

The interfacial structure between the room-temperature ionic liquid, 1-butyl-3-methyl-imidazolium hexafluorophosphate (BMIM+/PF6-) and rutile (110) surface is simulated by classical molecular dynam-ics simulation, aiming to model a crucial constituent of the electrolyte/semiconductor interface. The simulation results show several enhanced layers forming in the interfacial region, especially for the anions. A well ordered double layering structure of the ions is also observed in the interfacial region. The cations are found to organize themselves in a parallel alignment with respect to the TiO2 slab, with an obvious elongation of the side chains.

关键词： molecular dynamics simulation ionic liquid rutile (110) interface

1,2-Cyclic Monoacyl-rac-Glycerothio-phosphates of Cantharidin Analogues

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Chinese Chemical Letters 1999年第2期10卷 113-114页

作者： Zheng Hong ZHOU Ru Yu CHEN(institute of Elemento-Oganic Chemistry, nankai university, tianjin 300071) Inst. of Elemento-Oganic Chemistry Nankai University Tianjin 300071 China

A series of 1,2-cyclic monoacyl-rac-glycerothiophosphates of cantharidin and its analogues were synthesized in a one-pot procedure in overall yields of 44 similar to 55.5% by means of hexaethylphosphorus triamide as p... 详细信息

关键词： synthesis cantharidin and its analogues cyclic glycerothiophosphate

Quantitative Studies on Structure－Activity Relationships （QSAR） of Cytokinin－Active Phenyl Urea Derivatives（PUD）

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Chemical Research in Chinese Universities 1995年第4期11卷 291-298页

作者： QIAO Li-xin LI Zheng-ming YANG Hua-zheng ZHAO Zhong-ren and ZHANG Dian-kun(Research institute of Elemento-Organic Chemistry, nankai university,tianjin, 300071)LAI Cheng-ming(Department of Chemistry,nankai university,tianjin,300071) nankai UNIV RES INST ELEMENTOORGAN CHEMTIANJIN 300071PEOPLES R CHINA nankai UNIV DEPT CHEMTIANJIN 300071PEOPLES R CHINA

he quantitative studies on structure and cytokinin activity of the cucumber cotyledon expansion reiationshps of 35 urea compounds were conducted using pl1ysico-chemical parameters of the substituents and regression analysis,The position-specific hydrophobic,steric and electronic effects of substituents are important to the activity.A certain overlap of the optimum conformation of the ureido structure over Kinetin was *** coplanarity is discussed.

关键词： SAR,Cytokinin-active Phenyl areas

MORSE CONCAVITY FOR CLOSED GEODESICS

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Acta Mathematica Scientia 2009年第3期29卷 731-750页

作者：段华桂龙以明 School of mathematics chern institute of mathematics Key Lab of Pure mathematics and Combinatorics of Ministry of Education Nankai UniversityTianjin 300071 China

In this paper, the concavity of closed geodesics proposed by M. Morse in 1930s is studied.

关键词： closed geodesic concavity sypletic matrix Morse index