Synthesis and Crystal Structure of 3-(Pyrrole-2′-carboxamido)propanoic Acid·(1/2)H_2O

1 INTRODUCTION Pyrrole and its derivatives have attracted much attention due to their chemical properties as well as biological activities[1]. They have been widely used to produce pharmaceutical, essences, biochemicals, etc. It has been found that a great number of pyrrole derivatives present antitumor and antiviral activi- ties[2 ~ 5]. During our searches for bioactive com- pounds, a series of pyrrole derivatives were synthe- sized[6, 7]. We report here the synthesis of 3-(pyrrole- 2?-…     

Synthesis and Crystal Structure of N,N''''-Diphenyl-3, 6-diethyl-1,4-dihydro-s-tetrazine-1,4-dicarbonamide

1INTRODUCTIONIthasbeenarousedmoreandmoreinterestsinces-tetrazinewasfirstsynthesizedbyHautgschin1900[1].Thesynthesisofdihydroderivativeof3,6-dimethyl-s-tetrazinewasreportedindetailbySkorianetz[2].UsingX-ray,Jennison[3]foundthat1,6-dihydro-s-tetrazinehashom…     

Crystal Structure of a 4-Methyl-phenylacetylide-bridged Pt~IICu~I_2 Heterotrinuclear Organometallic Complex

1 INTRODUCTION Over the past decades, metal alkynyl complexes have attracted more and more attention due to their potential applications in conducting polymers, lumi- nescent materials and supramolecular chemis- try[1～10]. Compared to the rapid growth o…     

Synthesis and Crystal Structure of N—tert—butyl—N′—（2，4—dichlorobenzoyl）—N—[1—（4—chlorophenyl）—1,4—dihydro—6—methylpyridazine—4—oxo—3—carbonyl]hydrazine

1 INTRODUCTIONPyridazinone derivatives represent one of the most active classes of compounds possessing a wide spectra of biological activity. They are widely used in pharmaceuticals and agrochemicals[1,2]. Rohm- Haas Company had reported that N-tert-butyl- dibenzoylhydrazine exhibits excellent insecti- cides[3, 4] and t-butyl plays an important role in the insecticide activity [5]. In the previous paper, we had reported that 1-aryl-1,4-dihydro-3- acylhydrazino- carbonyl-4-one-6-methylpy…     

Synthesis and Crystal Structure of N,N~′-Bis(p-nitrophenyl)-2,2~′-(p-phenylene-dioxy)diacetamide DMF Monohydrate

1 INTRODUCTION Many crown ethers have been synthesized[1, 2] and widely used[3～5]. The amide-type acyclic poly- ethers with versatile molecular structures offer many advantages over the traditional crown ethers, such as their potential activity for ion-selective electrodes[6] and the extraction of metal ions[7], so they have attracted much scientific attention[8～10]. In an effort to investigate the effect of skeleton of acyclic polyether on the extractability of metal ions, and to find …     

Synthesis and Crystal Structure of a Novel Zinc Complex [Zn(OH_2)(HDPA)_2]·3H_2O

1INTRODUCTION In recent years,dicarboxylic acids have been wide-ly used as poly-dentate ligands involved in various metal chelation reactions to form transition or rare earth metal complexes with interesting properties in material science[1~3]and biological systems[4~7].For example,Kim,Y.and his coworkers focus on the syn-theses of copper(II)complexes containing ligands of malonate and pyrazine to study their electronic con-ductivity and magnetic property[8].The importance of Tr(II)/dic…     

Syntheses and Crystal Structures of 3,3'-(9,10-Anthrylene)bis-pentane-2,4-dione and 3-(2-Methoxy-1-naphthalenyl)-pentane-2,4-dione

1 INTRODUCTION 3-Substituted pentane-2,4-diones, as a series of chelating ligands to coordinate with many metal ions, have been extensively studied in coordination chemistry. These compounds can also act as valuable intermediates in the synthesis of calamitic derivatives both with or without metal ion[1]. However, compared to the 3-alkylation of 2,4-pentanediones, the direct synthesis of 3-aromatic pentane-2,4-diones from pentane-2,4- diones is much difficult. Previous methods to direc…     

Isolation and Crystal Structure of Trans-2,2′,4,4′-tetramethyl-6,6′-dinitro Azobenzene

Trans-2,2′,4,4′-tetramethyl-6,6′-dinitro azobenzene (C16H16N4O4, Mr = 328.32) was isolated from benzene extract of the leaves of Aconitum sungpanense Hand. Mazz. as a new compound, and characterized by spectral methods and X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/c with a = 8.544(1), b = 13.997(2), c = 7.161(1) A, β = 112.97(1), V = 788.4(2)A3, Z = 4, Dc = 1.383 g/cm3, F(000) = 344 and μ(MoKα) = 0.102 mm-1. The final R = 0.0395 and wR = 0.1140 for 1913 independent reflections with Rint = 0.0109 and 1329 observed reflections with I > 2((I). The molecule is composed of two phenyl rings through trans N=N.     

(enH_2)_4Na_4H_3[(VO)_(12)O_6B_(18)O_(42)]·8H_2O的水热合成和晶体结构

在水热的条件下合成了多钒硼酸盐(enH2)4Na4H3[(VO)12O6B18O42]8H2O, 化学式为C8H59B18N8Na4O68V12 (Mr=2253.45), 用单晶X射线衍射方法测定了它的结构, 该晶体属单斜晶系, P21/n空间群, 晶胞参数为a = 13.8989(4), b = 16.1954(5), c = 14.4520(4) ?β = 94.7490(5), V= 3241.95(16) ?, Z = 2, Dc = 2.308 g/cm3, ?= 1.819mm-1, F(000) = 2234, 4798个可观察衍射点(I > 2s(I)), 最终结构精修到偏离因子R = 0.0449, wR = 0.1163, S = 0.996。在该化合物的结构中, V12B18簇是由环状的B18O42通过18个B(μ3-O)V键被2个V6O18环夹在中间组成的, V12B18簇通过4个Na+与相邻的簇相连, 形成二维网状结构, 孔道尺寸为6.109×10.562 拧?     

Syntheses and Crystal Structures of Two Mononuclear Tin（IV） Complexes Derivedfrom Sn（edt）2 （edt = Ethane-1,2-dithiolate）

1INTRODUCTIONRecentlythedesignandsynthesisoftinsulfide-basedsolidstatematerialshasreceivedmuchattentionowningtotheirinterestingoptical,catalyticandelectricalpropertiesfordeviceappli-cations[1].Becauseoftheversatilecoordinationcharacteristicsoftinandsulfur…     

Syntheses and Crystal Structures of Two New Compounds Containing Triarylamine and Benzoic Hydrazide Units

1 INTRODUCTION The design and fabrication of efficient light emitting devices based on organic materials has been an active research area due to their possible application in display technology[1～5]. One of the most fascinating advantages in using th…     

Crystal Structure of a Novel Complex Na_4[Y(PDC)_2(BTC)]·5H_2O with One-Dimensional Helical Network Structure (H2PDC = 2,6-Pyridinedicarboxylic acid)( H_3BTC = 1,3,5-Benzenetricarboxylic acid )

1 INTRODUCTION The assembly of coordination networks is a field of increasing interest[1~4]. Research along this line is induced by the idea that coordination networks have potential technological applications such as optoele- ctronic devices and microporous materials for shape and size separation and catalysis[5~7]. In this paper, there has been current interest in using polycarboxy- late as anion linking groups to support stable poly- meric coordination open frameworks with transition m…     

Synthesis and Crystal Structure of One New Coordination Polymer： [Ni（qptc）0.5（bpp）（ H2O）]n

Solvothermal reaction of aromatic terphenyl-2,5,2?,5?-tetracarboxylic acid (H4qptc) ligand and the transitional metal cation of NiII in the presence of 1,3-bi(4-pyri- dyl)propane (bpp) affords one new coordination polymer, [Ni(qptc)0.5(bpp)(H2O)]n (1). The structure has been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR, TGA, and magnetism. The qptc4- acts as a H-shaped ligand linking the NiII centers together to form a 2D polymeric [Ni(qptc)0.5]n layer consisting of alternately arranged left- and right-handed helical chains. Each 2D polymeric [Ni(qptc)0.5]n layer is further linked through the bridging bpp ligands, thus resulting in a unique (3,4)- connected network with the (62.8)(62. 84) topology. The crystal of 1 crystallizes in monoclinic, space group C2/c with a = 16.088(5), b = 14.913(5), c = 18.849(6) ?, β = 100.982(4), V = 4439(2) ?3, Z = 8, C24H21N2NiO5, Mr = 476.14, Dc = 1.425 g/cm3, F(000) = 1976 and μ(MoKα) = 0.912 mm-1. The final R = 0.0584 and wR = 0.1131 for 3894 observed reflections with I > 2σ(I) and R = 0.1224 and wR = 0.1279 for all data.     

Synthesis and Crystal Structure of a New Hexadentate Ligand N,N＇-Bis（di（2-pyridyl）methyl）ethylenediamine

The reaction of di(2-pyridyl)ketone with ethylenediamine produced hexadentate Schiff base 1 which can be reduced to form a new ligand N,N-bis(di(2-pyridyl)-methyl)ethylene- diamine (BDPM) in ethanol solution. The two compounds were characterized by elemental analyses and spectroscopic methods. Their structures were determined by X-ray diffraction study. Crystal data for 1: C24H20N6, Mr = 392.5, monoclinic, P21/c, a = 13.871(3), b = 13.510(2), c = 12.153(2) ? b = 112.97(2)? Z = 4, V = 2094.1(6) ?, Dc = 1.245 g/cm3, m(MoKa) = 0.078 mm-1, F(000) = 824, the final R = 0.0545 and wR = 0.0557 for 2048 observed reflections (I > 2s(I)); for BDPM: C24H24N6, Mr = 396.49, monoclinic, C2/c, a = 21.411(3), b = 8.053(1), c = 11.868(1) ? b = 92.63(1)? Z = 4, V = 2044.2(4) 3, Dc = 1.288 g/cm3, m(MoKa) = 0.080 mm-1, F(000) = 840, the final R = 0.0401 and wR = 0.0939 for 1673 observed reflections (I > 2s(I)).     

Synthesis and Crystal Structure of a New Hexadentate Ligand N,N''''-Bis(di(2-pyridyl)methyl)ethylenediamine

1 INTRODUCTION The interest in the development of new poly- pyridine ligands derives from several respects. The formation of a stable complex that can be used as a model for the active sites presents in some metallo- proteins. The uncoordinated donor at…     

Synthesis and Crystal Structure of (L)_2W(CO)_4·CH_3COCH_3 (L=1-Phenacylimidazole)

1 INTRODUCTION Due to their variability in binding modes, five- membered heterocyclic ligands such as pyrazole[1] and 1,2,4-triazole[2] have been drawn much attention. Consequently, there are numerous reports on their derivatives. Imidazoles resemble pyrazoles, and they are isomeric five-membered heterocyclic molecules containing two nitrogen atoms. Furthermore, imida- zole is also a ring component of adenine and purine, one of the most versatile binding sites in biological systems, so th…     

Synthesis and Structure of a New Dinuclear Molybdenum(I) Compound with Cyclohexanthiolate Ligand, [Mo_2(SC_6H_(11))_2(CO)_6(CH_3CN)_2]

1 INTRODUCTION The chemistry of complexes containing low-valence molybdenum and tungsten metal atoms hasincreasingly attracted the attention from chemistsand bioinorganic chemists due to their significancefor studying metal enzymes[1～5]. Since the s…     

Synthesis and Crystal Structure of 2-[（4-Methoxy- 6-methylthio-2-pyrimidinyl）aminocarbonyl- aminosulfonyl] Benzoic Acid Methyl Ester

1 INTRODUCTION The sulfonylurea herbicides are characterized by broad-spectrum weed control at very low use rates (c.2~75g ai ha-1), good crop selectivity and very low acute and chronic animal toxicity (acute oral LD50 to rat >4000 mg/kg)[1]. They are e…     

具有扩展的双链结构的Mn(III)酰腙配合物的合成和晶体结构

合成了含有水杨醛缩(4-甲氧基)苯氧乙酰腙(以下简写为 H2L)的锰配合物[Mn(L)(acac)-(EtOH)]?H2O (MnC23H29 N2O8, Mr = 516.42)。配合物晶体属三斜晶系, 空间群为 P1, 晶胞参数为:a = 7.6942(3), b = 11.2422(4), c = 14.9230(6) ?, α = 95.656(2), β = 104.848(2), γ = 95.642(2)°, V =1231.37(8) ?3, Z = 2, Dc = 1.393 g/cm3, μ = 0.585 mm–1, F(000) = 540。对于 4374 (I > 2σ(I)) 个可观察点, R = 0.0439, wR = 0.1150。在配合物中, 中心 Mn(III)离子具有扭曲的 NO5八面体配位构型。晶体通过分子内与分子间的氢键作用形成平行排列的无限双链结构。     

Synthesis and Crystal Structure of a New Mononuclear Cu(II) Complex with 4,4''''-Dimethyl-2,2''''-bipyridine

1 INTRODUCTION The use of transition metal catalysts with nitro- gen-donor ligands is expanding rapidly[1], and the most widely used nitrogen ligand is the bidentate 2, 2?bipyridine unit[2]. Copper is found to be especial- ly important in the nervous sy…