Hydrothermal Synthesis, Crystal Structure and Fluorescent Property of a New Zinc Carboxylate-phosphonate： [Zn3（O3PCH（CH3）COO）2（H2O）]

1 INTRODUCTION Many efforts have been devoted to the synthesis of metal organophosphonates during the past three decades because of their rich variety of structural chemistry as well as their practical or potential applications in the areas of adsorption/desorption[1, 2], catalysts[3, 4], meso-/microporous materials[5～7] and intercalation chemistry[8～16]. One encouraging deve- lopment direction is the use of phosphonic acids with bi- and trifunctional groups, such as amino, hydroxyl and…     

Enamine Configuration of 5-Methyl-2-phenyl-4-[（Z）-3-tolylamino-phenylmethylene]pyrazol-3（2H）-one

1 INTRODUCTION In contrast to the old-line academic and practical studies of 1-phenyl-3-methyl-4-benzoyl-5-pyrazo- lone (PMBP) on the metal coordination chemistry[1], the complexes of β-ketoamines derivated from PMBP received little attention due to its complicated com- plexation. However, in recent years, there has a sudden growth of this area as a result of its timely interest in biological activities[2]. Recently, a series of β-ketoamines[3] containing PMBP have been prepared fro…     

Synthesis and Crystal Structure of Ethyl（2-amino-4-（3-nitrophenyl）-1,4-dihydro-2H-pyrano[3,2-h]quinolin-3-）carboxylate

1 INTRODUCTION 2-Aminochromene is an important class of com- pounds found as the main compounds of many naturally occurring products employed as cos- metics and pigments[1] and utilized as potential biodegradable agrochemicals[2～4]. The utility of fluoride salts as potential base in variety of syn- thetic reactions has been recognized in recent years[5, 6]. However, low solubility of fluoride salts in ordinary solvents limits their wide applications in organic syntheses. On the other ha…     

Synthesis and Structure of [Er4（μ3—OH）4（Hpro）4（Pro）2（H2O）7]（ClO4）6.7H2O

1 INTRODUCTION The design and synthesis of polynuclear com- plexes have attracted chemists?attention in the contemporary chemistry, since their clusters maybe lead to novel materials with magnetic, optical, electronic and catalytic properties of the constituent metals[1～3]. It is also prevalently interesting to synthesize high-nuclearity metal complexes for their nanoscopic dimensions[3, 4]. Spectroscopic properties of the lanthanides are widely used in the study of biological systems. …     

Synthesis and Crystal Structure of 3a-Hydroxy-3-phenyl-1,2,3,3a,8a-pentahydrocyclopenta [α]inden-8-one

1 INTRODUCTION Many organic substances of interest contain vari-ous types of rings and it becomes important to ex-plore and develop new approaches to appropriatelyfunctionalize medium and large rings. Free radicalcyclization reaction is a new strategy to constructdifferent types of cyclic compounds including biolo-gically active natural products and pharmaceuti-cals[1～4], and nowadays it is one of the importantresearch fields of organic chemistry. Up to date, noreport on the radical cycl…     

Synthesis and Crystal Structure of 3,3＇-Dimethyl-dibenzo-18-crown-6

1 INTRODUCTION Since the report about unusual coordination num- bers and arrangements to metal ions of crown ether compounds by Pedersen[1], the crown ether compounds have attracted much attention. Due to their novel coordination modes, crown ethers have been widely used in catalyst, solvent extraction, iso- tope separation, bionics, material chemistry, host- guest chemistry and supramolecular chemistry[2~5]. So it is vital to study the synthesis of new crown ethers and their crystal stru…     

Electroluminescence from Exciplex on the Interface Between TPD and La（PMIP）3（Bipy）

The bilayer organic light-emitting diode(OLED) with a blue fluorescent lanthanum complex, tris(1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone)-(2,2′-dipyridyl) lanthanum [La(PMIP)3(Bipy)], as a light emitting material and N,N′-diphenyl-N,N′-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine(TPD) as a hole transporting material emits bright green light instead of blue light. The data of the absorption, the photoluminescence(PL) and the photoluminescence excitation(PLE) spectra of TPD, La(PMIP)3(Bipy) and the mixture of TPD and La(PMIP)3(Bipy)(molar ratio 1∶1) prove that the electroluminescent emission originates from the exciplex on the interface between TPD and La(PMIP)3(Bipy). By improving device configuration with tris(8-hydroxyquinoline) aluminum(ALQ) as an electron transporting material, a maximum luminance of 800 cd/m2 was obtained.     

Synthesis and Crystal Structure of a New Silver(I) Isonicotinate Coordination Polymer:[(Ag_3L_2)(ClO_4)]_n(HL=Isonicotinic Acid)

1 INTRODUCTION Solid-state supramolecular chemistry and materialscience have shown quite spectacular advances overthe last two decades. At present, supramolecular che-mistry is one of the most prosperous fields in thewhole of chemistry due to their intriguing structuraldiversity and potential application as functional ma-terials, such as metallic conductivity[1], superconduc-tivity[2], non-linear optical behavior[3] and molecularmagnetism[4] invoked from the accumulation of com-posite or…     

1-苯基-3-甲基-4-甲酰基-5-吡唑啉酮Cu(Ⅱ)配合物的合成及晶体结构

A novel Cu(Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra-phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm³. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers. CCDC: 625422.     

Synthesis and Structure of Iron Complex with 1,2—Dithiolate—1,2—dicarba—closo—dodecaborane [Li（THF）4][Fe（S2C2B10H10）2（THF）]

1 INTRODUCTION The complexes containing dithiolate ligands have played a well-established role in modern coordination chemistry[1]. There is continuous interest in complexes of chalcogenolate ligands with transition metals such as complexes of Pd[1], Mo[1], Au[2], Ir[3～6], Rh[4, 5], Co[7] and Re[1, 8] containing a chelating 1,2-dicarba-closo-dodecabarane-1,2-dich- alcogenolate ligand. Some of these complexes have become important in the study of new molecular materials[1, 9, 10]. Th…     

Synthesis and Crystal Structure of 1-（Trifluoromethyl）-1-（propioloyl）-（E）-3-oxo-（2-thienyl）-（2-naphthylamine）

1INTRODUCTIONTheSchiffbasesderivedfromb-diketonesandaliphaticamineshavebeenshowntoexistastheketo-amines.However,ifsubstituentseitherattheketooraminogrouparearomatic,itmaybeexpectedtheenoliminewillbethefavoredtautomericform[1].Recently,someSchiffbasesderivedfromTTA(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione)andPMBPhavebeenstudiedbyWang[2]andYu[3]etal.Inordertostudytherelationshipbetweenthestructuresandperformancesofthesecompounds,thetitlecom-poundwillbereportedherein.2EXPERIMENT…     

Synthesis and Crystal Structure of （S）-Ethyl-2-（2-methoxy-phenylsulfenamido）-3-（1H-indol-3-yl）propanoate

With an aim to discover novel AHAS inhibitors,the title compound (S)-ethyl-2(2-methoxy-phenylsulfenamido)-3-(1H-indol-3-yl)propanoate (C 21 H 22 N 2 O 4 S,M r=398.47) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis.The crystal belongs to orthorhombic,space group P2 1 2 1 2 1 with a=8.078(2),b=12.824(4),c=18.788(6),V=1946.2(10) 3,Z=4,F(000)=840,D c=1.360 mg/m 3,μ=0.197 mm-1,the final R=0.0433 and wR=0.1035 for 3075 observed reflections with I > 2σ(Ⅰ).The absolute structure Flack parameter X of this compound is 0.00(8).A total of 14375 reflections were collected,of which 3431 were independent (R int=0.0437).X-ray analysis reveals that the crystal structure involves two intermolecular N-H···O and one N-H···S intermolecular hydrogen bonds with the neighboring molecules.The crystal structure was compared with our previously reported (S)-methyl 2-(4-R-phenylsulfonamido)-3-(1H-indol-3-yl)propanoate (R=H(1) and Cl(2)),which provided some useful information of these compounds.     

Molecular and Crystal Structure of 1- ( 2- chloro) - Benzoyl - 3- (4- methylphenyl ) Thiourea

1　INTRODUCTIONBenzoylphenyltioureas having a generalformula( ) were reported to have in secticidalactivity〔1〕,which isclosely related to theirstructures,particularly tothedi hedralangle between the- CONH- plane and phenylring〔2〕.Surprisingly there islittle reported in the literature,only three related structures stored in CSD〔3〕 until1 998.In thispaper,we reportthe crystalstructure ofthe title compound.R CONHCSNHR2　EXPERIMENTAL2 .1　Synthesis　　The synthesisofthetitl…     

Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-（Carboxyethyl）thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide

The crystal structure of the title compound (C34H47N7O9, Mr = 697.79) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21 with a = 9.000(8), b = 11.360(10), c = 17.841(15) , β = 97.083(14)°, V = 1810(3) 3, Z = 2, F(000) = 744, Dc = 1.280 g/cm3, μ = 0.094 mm-1, the final R = 0.0721 and wR = 0.1942 for 2479 observed reflections with I > 2σ(I). The two methyl groups attached to the cyclobutane ring are cis oriented. An intramolecular hydrogen bond (N(6)-H(6)…O(8)) introduces rigidity into the title molecule and the crystal structure is stabilized by intermolecular N-H…O hydrogen bonds.     

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…     

C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’

The title compound (C14H12N2O2,Mr=240.26) crystallizes in the monoclinic system,space group P21/a with a=7.394(1),b=21.334(3),c=7.423(1)A,β=89.82(1)A°,V=1170.8(3)A3,Z=4,Dc=1.363 g/cm3,μ(MoKα)=0.93 cm-1 and F(000)=504.00.The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I>2σ(I)),respectively.The dihedral angle between the two phenyl rings is 52.9°and that between the NO2 group and its attached ring is 3.0°.In the crystal,molecules are stacked along [100] throughπ…πinteractions.The C-H…O hydrogen bond (3.403 A,120.4°) laterally connects the stacks along [010] to form networks (001) which are further anti-parallelly connected by C-H…O(3.382 A,142.9°) andπ…πinteractions extending along [001].Also presented here is a brief study on the C-H…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types,namely,R12(5)R21(4),R22(8),R12(6),andR22(7),with the first three occurring more often.     

Synthesis and Crystal Structure of 3-（ 2- Hydroxybenzly ）-4-（ 4- Hydro xybenzylideneamino ）-（1H） - 1,2,4- Triazole-5-Thione and Its Antibacterial Activities

1 INTRODUCTION 2. 1 Physical measurements Azole derivatives, such as pyrazole, imidazole, All solvent and chemicals were commercial rea- triazole(including benzotriazole), tetrazole and indole, gents and used without further purification. Ele- have extensive biological activities. They have be- mental analyses were performed on a PE 1700 CHN come the central focus of studies for agricultural che- auto elemental analyzer. IR spectra were recorded on micals, medicines, plant growth regul…     

Synthesis and Crystal Structure of 7-Amino-2,3,4,5-tetrahydro- 1,3-dimethyl- 5-（2-nitrophenyl）-2,4-dioxo-lH-pyrano[2,3- d]pyrimidine-6-carbonitrile DMF Solvate

The title compound 7-amino-2,3,4,5-tetrahydro-1,3-dimethyl-5-（2-nitrophenyl）- 2,4- dioxo-1H-pyrano[2,3-d] pyrirnidine-6-carbonitrile DMF solvate 1 （C19H20N6O6, Mr = 428.41） was synthesized and crystallized. The crystal belongs to the monoclinic system, space group P2 1/c with a = 11.383（2）, b = 13.372（2）, c = 13.673（2）A, β = 97.380（4）°, Z = 4, V = 2063.8（6）A^3, Dc = 1.379 g/cm^3,μ（MoKα） = 0.105 mm^-1, F（000） = 896, the final R = 0.0738 and wR = 0.1647 for 2964 observed reflections （I〉 2σ（I））. X-ray analysis reveals that the new pyran ring is coplanar, which is obviously different from those of other similar compounds. In addition, the unclassical hydrogen bonds of C-H…O and C-H…N are presented in the crystals except for the normal hydrogen bonds of N-H…O.     

Synthesis and Crystal Structure of Trans-4-[(5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one

The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1H-pyra-zol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1 with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6) , α = 112.566(1), β = 92.324(2), γ = 102.91(1)o, V = 1315.65(10) 3, Z = 2, Dc = 1.344 g/cm3, μ(MoKα) = 0.282 mm-1, λ = 0.71073 , F(000) = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections (I > 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra-and intermolecular C(12)-H(12)···O(1) and C(28)-H(28)···O(1)#1 hydrogen bonds were observed in the title compound.     

Synthesis and Crystal Structure of 1-（4-Bromobenzoyl）-3- [5-（E）-styryl-1,3,4-thiadiazol-2-yl]urea

1 INTRODUCTION 1,3,4-Thiadiazole derivatives represent an interes- ting class of compounds possessing broad spectrum biological activities[1~4]. Aroyl ureas are known to exhibit diverse biological effects, such as insecticidal, fungicidal, herbicidal and plant growth regulating activities[5~8]. Therefore, it is worthwhile to investi- gate the compounds incorporating both 1,3,4-thiadia- zole nucleus and aroyl urea group. In the previous paper[9], a series of aroyl ureas containing 1,3,4-t…