Synthesis and Crystal Structure of 1-(o-methylphenyl)-2-(p-methoxyphenyl)-1,3,2-diazaphospholidin-4-thione-2-sulfide

11NTRODUCTIoNThederivativesofdiazaphospholidinoneorthecorrespondingthionesareknowntopossessinterestingbiologicalproperties,suchasherbicidalactivity"'2i.Inrecentyears,itwasreportedthatthel,4,2-diazaphospholindine-5-thione-2havegoodselectiveherbicidalactivity"'41.Tolookformoreeffectiveherbicideswithlowtoxicity,aseriesofnovel1-(o-methylphenyl)-2-(p-methoxyphenyl)-phospholidin-4-thione-sulfideshavebeensynthesizedandtheirmolecularstructuresstudied.PreliminarybioassaysshowthatthesecomPoundshaveg…     

Crystal and Molecular Structure of 3，4－diphenyl－5－methyl－5－propyl－1，3，4－diazaphospholidin－2－thione－4－sulfide

ＣｒｙｓｔａｌａｎｄＭｏｌｅｃｕｌａｒＳｔｒｕｃｔｕｒｅｏｆ３，４－ｄｉｐｈｅｎｙｌ－５－ｍｅｔｈｙｌ－５－ｐｒｏｐｙｌ－１，３，４－ｄｉａｚａｐｈｏｓｐｈｏｌｉｄｉｎ－２－ｔｈｉｏｎｅ－４－ｓｕｌｆｉｄｅ￥ＦｅｎｇＫｅ－Ｓｈｅｎｇ；ＣｈｅｎＲｕ－Ｙ...     

Crystal and Molecular Structure of 3，4－diphenyl－5－ethyl－5－methyl－1，3，4－diazaphospholidin－2－thione－4－oxide

ＣｒｙｓｔａｌａｎｄＭｏｌｅｃｕｌａｒＳｔｒｕｃｔｕｒｅｏｆ３，４－ｄｉｐｈｅｎｙｌ－５－ｅｔｈｙｌ－５－ｍｅｔｈｙｌ－１，３，４－ｄｉａｚａｐｈｏｓｐｈｏｌｉｄｉｎ－２－ｔｈｉｏｎｅ－４－ｏｘｉｄｅ￥ＦｅｎｇＫｅ－Ｓｈｅｎｇ；ＣｈｅｎＲｕ－Ｙｕ（Ｉ...     

Crystal Structure of N-Phenylisothiocyanatido-Phosphonamidothioate

1INTRODUCTIONLawess0n,Sreagent(LR),2,4-Bis(4-meth0xyphenyl)-1,3,2'4-dithiadiphosphetane-2,4-disulfide,notonlyisaselectivereagentf0rthi0natingcar-bonylcompounds,buta1soreactswithcertainsubstratestogivephosph0rushetero-cyclecompoundswhichcontainthe(4-methoxyphenyl)phosphinothi0ylidene"4-CH,OC,H'P(S)"m0iety.Theseheterocycliccompoundshavesomepotentialbiologi-calactivitiesasherbicides,fungicides,andinsecticides[l'2J.Wehavestudiedthecy-clizationofthebifunctionalsubstrateswithLRtogive5-and6…     

Crystal Structures and Antimicrobial Activity of Two Phosphorus Compounds

1 INTRODUCTION Both phosphorus and sulfur are the non-metal ele- ments rich in biological bodies. Phosphorus is the core element of nucleic acid, which is the principal ingredient of lives; and sulfur is the important ele- ment in the skeleton of nitrogen-fixing enzyme’s activity center[1]. It has been found that LR, 4-bis(4- methoxyphenyl)-1,3,2,4-dithiadiphosphe-tane-2,4- disulfide (Scheme 1), is an effective thiation reagent for ketones, carboxamides, esters, S-substituted thio- est…     

3,4-二苯基-4-氧(硫)代-1,3,4-二氮磷杂环戊-2-硫酮的合成、结构及其反应机理研究

本文研究了苯基硫脲、苯基二氯化膦与脂肪醛(酮)在无水苯中进行的类Mannich反应,在分离产物时发现,除了生成3,4-二苯基-4-氧代-1,3,4-二氮磷杂环戊-2-硫酮(Ⅰ)外,还得到了少量3,4-二苯基-4硫代-1,3,4-二氮磷杂环戊-2-硫酮(Ⅱ).根据化合物Ⅱ的生成及³¹PNMR跟踪反应的结果,得出反应机理为P-H键对亚胺衍生物的加成.通过X射线衍射分析发现,化合物Ⅰ和Ⅱ的五元杂环均为平面结构,其平面性受4位氧代或硫代的影响较大.     

Crystal Structure of 3－［（α－Phenyl） triphenyl germylethyl］－4－phenyl－Δ~2－1，2，4－triazoline－5－thione

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ３－［（α－Ｐｈｅｎｙｌ）ｔｒｉｐｈｅｎｙｌｇｅｒｍｙｌｅｔｈｙｌ］－４－ｐｈｅｎｙｌ－Δ~２－１，２，４－ｔｒｉａｚｏｌｉｎｅ－５－ｔｈｉｏｎｅＣｈｅｎＲｕ－Ｙｕ；ＬｉＦｅｎｇ－Ｆｕ（ＩｎｓｔｉｔｕｔｅｏｆＥｌｅ?..     

Synthesis,Crystal Structure and Cytotoxicity Evaluation of 2-Phenoxy-4H-spiro{naphtho[2,3-e][1,4,2] oxazaphosphinane-5,10-dione,1'-cyclohexane} 2-Oxide

1 INTRODUCTION The quinone structure is common in numerous natural products that are associated with antitumor, antibacterial, antimalarial, and antifungal activities[1]. A variety of heterocyclic quinones containing dif- ferent heteroatom substituents could exhibit such activities through different actions and sometimes even improve the activities[2～5]. On the other hand, organophosphorus compounds continue to receive widespread attention due to their ubiquity in biological systems[6, 7]…     

1-苯基-3-甲基-4-(6-氢-4-甲基氨基-5-硫杂-2,3-吡嗪)-吡唑啉酮的合成与晶体结构

通过1-苯基-3-甲基-4-氯乙酰基-吡唑啉酮-5 (PMCP) 和4-甲基氨基硫脲 (MTSC) 缩合, 形成了一种新的双杂环化合物 (PMCP-MTSC)。利用元素分析与单晶X-射线衍射进行了表征。 该化合物(C14H15N5OS)属单斜晶系, P21 空间群, 晶体学参数为 a = 7.634(1), b = 11.639(2), c = 8.150(2) ? ?= 98.13(1), V = 716.9(2) ?, Z = 2, Dc = 1.396 g/cm3, (MoKa) = 0.232 mm-1, F(000) = 316, Mr = 301.37。结构由直接法解出,共收集3114个衍射点,其中I > 2(I)的独立衍射点有2453个,用全矩阵最小二乘法修正,最终偏离因子:R = 0.0294, wR = 0.0738。结构分析表明: 该化合物以酮式存在,分子间通过氢键作用(N(5)H…O)连接起来并形成一维链状结构。     

Synthesis and Crystal Structure of 2-Morpholinylthioformyl-2-phenyl-4-morpholinyl-5-phenyl-1,3-dithiole

1　ＩＮＴＲＯＤＵＣＴＩＯＮα Ｔｈｉｏｃａｒｂｏｎｙｌｔｈｉｏｆｏｒｍａｍｉｄｅｓｗｅｒｅｓｙｎｔｈｅｓｉｚｅｄｉｎ 1 980 [1～ 2 ],ｈｏｗｅｖｅｒ,ｔｈｅｒｅｗａｓｎｏｒｅｐｏｒｔｏｎｔｈｅｉｒｐｒｏｐｅｒｔｉｅｓａｎｄｒｅａｃｔｉｏｎａｃｔｉｖｉｔｉｅｓ[3].Ｗｅｒｅｐｏｒｔｅｄｔｈｅｒｅａｃｔｉｏｎｏｆα ｔｈｉｏｃａｒｂｏｎｙｌｔｈｉｏｆｏｒｍａｍｉｄｅｓｐｒｅｖｉｏｕｓｌｙ[4 ].Ｈｅｒｅ ,ｗｅｒｅｐｏｒｔｔｈｅｓｙｎｔｈｅｓｉｓｏｆ 2 ｍｏｒｐｈｏｌｉｎｙｌｔｈｉｏｆｏｒｍｙｌ 2 ｐｈｅｎｙ…     

Synthesis and Crystal Structure of 1，5－Bis（1＇－phenyl－3＇－methyl－5＇－pyrazolone－4＇）－1－（4＇－aminobutand－1＇－imino）－5－pentaneone

ＳｙｎｔｈｅｓｉｓａｎｄＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ１，５－Ｂｉｓ（１＇－ｐｈｅｎｙｌ－３＇－ｍｅｔｈｙｌ－５＇－ｐｙｒａｚｏｌｏｎｅ－４＇）－１－（４＇－ａｍｉｎｏｂｕｔａｎｄ－１＇－ｉｍｉｎｏ）－５－ｐｅｎｔａｎｅｏｎｅ￥ＹａｎｇＬｕ－Ｑ...     

Synthesis and Crystal Structure of 2-（ 4-Decarboxydehydroabietyl）- 5-p-tolyl-[ 1,3,4 ]-oxadiazole

2-（4-Decarboxydehydroabietyl）-5-p-toyl-[1,3,4]-oxadiazole, C28H34N2O, has been synthesized and characterized by IR, NMR, elemental analysis and single-crystal X-ray diffraction method. The crystal belongs to the orthorhombic system, space group P212121 with a = 6.1351（5）, b = 14.8495（19）, c = 25.9050（2） A, V = 2360.0（4） A3, Z = 4, Mr = 414.57, Dc = 1.167 Mg/m^3, 2 = 0.71073 A,μ（MoKa） = 0.070 mm^-1, F（000） = 896, the final R = 0.0452 and wR = 0.1076 for 1647 observed reflections with I 〉 2σ（I）. There are five rings in the crystal structure of the title compound, but the oxadiazole ring is non-coplanar with the benzene ring D.     

Synthesis and Crystal Structure of 3,5-Diphenyl- 1,2- di（4- chlorophenyl）pyrrole

1 INTRODUCTION The pyrrole ring constitutes a basic heteroaro- matic structure. It is a vital building block for the construction of porphyrins and alkloids[1]. Several substituted pyrroles have potential applications as fungicides and bactericides and as active compo- nents of nonsteroidal anti-inflammatory drugs inhi- biting human cyclooxygenase[2, 3]. Besides the clas- sical Knorr’s method, there are a number of poten- tially useful methods for the synthesis of pyrrole he- terocyclic …     

（R）—四氢噻唑—2—硫酮—4—羧酸的合成及其晶体结构

由Ｌ－半胱氨酸盐酸盐与二硫化碳在ＮａＯＨ及ＣｕＳＯ４．Ｈ２Ｏ存在下反应得到（Ｒ）－四氢噻唑－２－硫酮－４－羧酸，「α」＾２０Ｄ－８７．５°，产率６６％。用Ｘ射线衍射法测得其晶体结构，属正交晶系，Ｐｚ１ｚ１ｚ１空间群，晶体学参数：α＝０．５０２９（２）ｎｍ，ｂ＝０．７７４９９（５）ｎｍ，ｃ＝１．６３００（５）ｎｍ，Ｖ＝０．６３５０（５）ｎｍ＾３，Ｚ＝４。用分子轨道方法研究了该化合物的电子结构，得到其     

Synthesis and Crystal Structure of [2-dapp]2[Zn（dmit）2] （2-dapp = 2-（4-Dimethylaminophenyl）ethyl-l-methylpyridinium, dmit = 1,3-Dithiole-2-thione-4,5-dithiolato）

1 INTRODUCTION The transition metal complexes with dmit ligand together with their derivatives have received signi- ficant attention due to their metallic-like electronic properties[1～8]. More recently, our researches show that they may be the new kind…     

Structure of GdMg（BO2）5 Crystal

1 INTRODUCTION With the development of diode-pumped solid-sta- te lasers, the research to find more efficient materials for these lasers is gaining more importance. The luminescent materials host LnMgB5O10 may become potential solid-state laser materials[1, 2]. Nd3 -doped GdMg(BO2)5 as a potential diode-pumped laser crystal has been grown in our lab and characterized by a very strong absorption at near 808 nm and intense emission. Although the previous work repor- ted LaMg(BO2)5 with…     

4-苯基-2-苯偶氮基-1-硫代-3,4-二氮唑硫酮-5的合成和晶体结构

4-苯基-2-苯偶氮基-1-硫代-3,4-二氮唑硫酮-5(C14H10N4S2)是双硫腙与二硫化碳发生加成闭环反应时获得。结构通过单晶X-射线衍射法确定,标题化合物是单斜晶系, 空间群为C2/c,晶胞参数a = 25.169(5), b = 3.9690(8), c = 30.130(6) ?,β= 113.79(3)°, V = 2754.0(1)?3, Mr =298.38, Dc =1.439 g/cm3 , Z = 8, μ(MoKα)=3.80cm－1, F(000)=1232 。最终偏差因子为R = 0.0335, wR = 0.0861。分子结构中硫代二氮唑五员杂环显示出共平面结构,最大偏差0.010(1)?。C=S键长1.634(2)     

4-溴-5-硝基邻苯二甲腈的合成及晶体结构

以邻苯二甲酸酐为原料,经溴化、脱水、亚胺化、硝化、酰胺化、脱水6步反应合成了一种易调变的酞菁前驱体——4-溴-5-硝基邻苯二甲腈,并测定了其晶体结构。     

Crystal Structure of 6-Chloro-4-nitro-2-phenylpyrimidine

The crystal structures of 6-chloro-4-nitro-2-phenylpyrimidine and 6-chloro-2-phenylpyrimidine have been determined using X-ray diffraction. The effect of the nitro group and the endocyclic nitrogen atoms on the geometric parameters of the 2- and 4-nitropyrimidine molecules, and also related -nitroazines are compared.     

Synthesis and Crystal Structure of [K（2,2,2-crypt）]2HP11

[K（2,2,2-crypt]2HP11 has been prepared from the reaction of K3P11 with the mixed ethylenediamine/2,2,2-crypt solution. The crystal structure was determined by singlecrystal X-ray diffraction. The crystal is of tdgonal system, space group P^-3c1 with a = 12.068（2）, b = 12.068（2）, c = 22.319（6）A, V = 2815.0（10）A^3, Dc = 1.384 g/cm^3, C36h73K2N4O12P11, Mr = 1172.85, F（000） = 1232,μ = 0.536 mm^-1, Z= 2, R = 0.0678 and wR = 0.2211 for 1763 observed reflections （I 〉 2σ（I））. In this compound, the P11 cluster has ideal 32-D3 symmetry, and the three-fold axis, corresponds to the crystallographic c axis. The （HP11）^2- anions are stable due to the completely sequestered alkali metal cations through only ion-ion interactions.