Synthesis and Crystal Structure of a N,N,N＇-tri（2-hydroxy-5-methylbenzyl）-l,2-ethanediamine

An aminophenol ligand, N,N,N＇-tri（2-hydroxy-5-methylbenzyl）-l,2-ethanediamine, was prepared through the Marmich reaction, and structurally characterized by NMR, IR, MS and single-crystal X-ray diffract...     

Synthesis and Crystal Structure of 5-N-i-Propyl-2-(2′-nitrobenzenesulfonyl)-glutamine

IntroductionAcetohydroxy acid synthase(AHAS) is a perfecttarget for the design of environmentally benign herbi-cides because it is a key enzyme that is absent in ani-mals but is important for the biosynthesis of branched-chain amino acids in plants[1,2]. …     

Synthesis and Crystal Structure of N,N′-4-aminomethyl-pyromellitic diimide

The title compound N,N′-4-aminomethyl-pyromellitic diimide (4-pmpmd) crystallizes in monoclinic, space group P21/c with a = 4.785(1), b = 6.200(1), c = 29.907(2) (A), β =93.583(11)°, V= 885.5(2) (A)3, Dc = 1.494 g/cm3, Z = 2, C22H14N4O4, Mr = 398.37,μ(MoKα) = 0.106mm-1 and F(000) = 412, and its structure was refined to R = 0.0469 and wR = 0.1017 for 1194observed reflections (Fo ＞ 4σ(Fo)). The X-ray diffraction shows the existence of the staggered multi-dimensional supramolecular network based on the Z-mode conformation of the title compound.     

Synthesis and Crystal Structure of N,N′-4-aminomethyl-pyromellitic diimide

1 INTRODUCTION N,N?-4-aminomethyl-pyromellitic diimide (4-pmpmdwas firstly obtained[1] in 1989 as one of the bypro-ducts by refluxing equimolar quantities of pyrome-llitic anhydride, n-hexylamine and 4-aminomethyl py-ridine in dry DMF to assemble electronic donor-spa-cer-acceptor systems, but its structure and coordina-tion chemistry did not receive attention at that time.For 4-pmpmd, the entity of two methylene groups(-CH2-) between the rigid pyromellitic diimide (PMDcore and two fre…     

Synthesis and Crystal Structure of Complexes of Lanthanide Picrates With N,N ′-Dimethyl-N,N ′-Diphenyl-1,2-PhenylenediOxydiacetamide

Lanthanide picrate complexes with the ligand N,N'-dimethyl-N,N'-diphenyl-1,2-phenylenedioxydiacetamide (L) [Ln(Pic)₃L] (Ln=La,Gd,Er,Y) have been prepared in nonaqueous medium and characterized by elemental analysis, IR and ¹H spectra. The Gd(III) complex [Gd(Pic)₃L]·3CH₃CN is triclinic, space group P&1macr;, with a=14.292(1), b=14.967(2), c=16.571(2)Å, α=97.855(9), γ=113.070(9)°, ν=28706(6)ų, D _c=1.584g/cm³ for Z=2. The structure was refined to R=0.0318 based on 8409 observed reflections.     

Synthesis,characterization and SOD-like activities of manganese-containing complexes with N,N,N′,N′-tetrakis(2′-benzimidazolyl methyl)-1,2-ethanediamine (EDTB)

A series of manganese-containing mononuclear and binuclear model compounds of superoxide dismutase (SOD) coordinated by a polydentate ligand N,N,N′,N′-tetrakis(2′-benzimidazolyl methyl)-1,2-ethanediamine (EDTB) have been synthesized and characterized. The SOD-like activities of these complexes have been measured by means of modified nitroblue tetrazolium (NBT) photoreduction, and the rate constants k_Q of catalytic superoxide dismutation are in the range 6.96×10⁶–2.32×10⁷ l mol⁻¹ s⁻¹. In complex [Mn(EDTB)(Ac)](Ac)·C₂H₅OH the coordination environment around the manganese(II) ion can be described as a highly-distorted capped octahedron with an oxygen atom of the bidentate acetate ion at the capping site. This complex is the first example in which EDTB acts as a pentadentate ligand with one non-ligating benzimidazole group.     

Synthesis,Crystal Structure and Spectroscopic Properties of N,N′-Diphenyl-N,N′-bis(2-fluorophenyl)-1,1′-biphenyl-4,4′-diamine

A fluorinated tetraphenylbenzidine derivative, N,N′-diphenyl-N,N′-bis(2-fluorophenyl)-1,1′-biphenyl-4,4′-diamine (C36H26F2N2, Mr = 524.59) was synthesized via the palladiumcatalyzed Buchwald-Hartwig reaction of N,N′-diphenyl-1,1′-biphenyl-4,4′-diamine with 2-fluoroiodobenzene (yield: 75%) and structurally characterized. It crystallizes in monoclinic, space group P21/n with a = 9.820(7), b = 14.305(11), c = 10.233(8) , β = 108.973(9)o, V = 1359.3(18) 3, Z = 2, Dc = 1.282 g/cm3, μ(MoKα) = 0.084 mm-1, F(000) = 548, S = 1.018, the final R = 0.0439 and wR = 0.0928. It presents a linear centrosymmetric framework constituted by a linkage of biphenyl as a bridge and two fluorinated diphenylamine moieties. The UV-Vis absorption and fluorescence spectra of the title compound were also investigated. This compound emits intense blue fluorescence with a peak wavelength of 406 nm in film.     

Synthesis and Crystal Structure of 4,4′-Diamino-N,N′-diethyl Bisbenzenesulfamide

A new compound of 4,4′-diamino-N,N′-diethyl bisbenzenesulfamide (C18H26N4O4S2, Fw = 426.55) has been synthesized and its structure was determined by X-ray crystallography method. The crystal belongs to the monoclinic system, space group P21/c with a = 10.0623(9), b = 13.6759(13), c =15.5309(14) , β = 100.482(2)o, V = 2101.6(3) 3, Dc = 1.348 g/cm3, F(000) = 904, μ = 0.285 mm–1, Z = 4, the final R = 0.0512 and wR = 0.1363 for 3485 observed reflections with I > 2σ(I). The structure of the title compound is pseudo secondary axisymmetric, and the two sulfamide-groups show distorted tetrahedral configurations.     

Synthesis and Crystal Structure of 4-(N,N-Diphenylamino)styrene- 4′-N-methylpyridinium Iodine

The title compound 4-(N,N-diphenylamino)styrene-4′-N-methylpyridinium iodine (abbreviated to PASMPI) was synthesized by a facile condensation reaction with a high yield. The red crystal including a molecule of CHCl3 was obtained by recrystallization in chloroform/ethanol. Its crystal structure was determined by a four-circle diffractometer. The crystal data: C26H23N2ICHCl3, Mr = 609.73, orthorhombic, space group Pbca, a = 15.422(5), b = 14.042(5), c = 24.693(5) , V = 5347(3) 3, Z = 8, Dc = 1.515 g/cm3, F(000) = 2432, μ(MoKa) = 0.057 mm-1, the final R = 0.0439 and wR = 0.0772. The results reveal that the molecule is a completely reverse system. The molecular rotation from non-coplanar to coplanar may play an important role in increasing the fluorescence intensity under the condition of staining DNA.     

Synthesis and Crystal Structure of 2-Amino-4- chloro-5-（4-methylbenzyl）-6-methylpyrimidine

The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7) , β = 109.795(8)°, V = 1278.7(10) 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm3, μ = 0.280 mm-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I > 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered.     

Synthesis and Crystal Structure of a Novel Copper (II) Complex with Acetylenedicarboxylate and 2, 2′-Bipyridine

The construction of molecular-based crystalline solids using coordination polymer has become a very active research field in recent years,not only due to their intriguing structural motifs,but also due to their potential applications in optical,electronic and magnetic materials1,2.Many of the most interesting coordination polymers are based on polycarboxylate ligands,such as maleate3,malonate4,1,4-benzenedicarboxylate5,1,3,5-benzenetricar-boxylate6and1,2,4,5-benzenetetracarboxylate7,which have …     

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,spectroscopic characterization,thermal, and photostability studies of 2-(2′-hydroxy-5′-phenyl)-5-aminobenzotriazole complexes

Three Mn(II), Co(II), and Cu(II) new transition metal complexes of the fluorescence dye: 2-(2′-hydroxy-5′-phenyl)-5-aminobenzotriazole/PBT derived from o-aminophenol and m-phenylenediamine have been synthesized. The structural interpretations were confirmed from elemental analyses, magnetic susceptibility and molar conductivity, as well as from mass, IR, UV–Vis spectral studies. From the analytical, spectroscopic, and thermal data, the stoichiometry of the mentioned complexes was found to be 1:2 (metal:ligand). The molar conductance data revealed that all the metal chelates are non-electrolytes and the chloride ions exist inside the coordination sphere. The thermal stabilities of these complexes were studied by thermogravimetric (TG/DTG) and the decomposition steps of these three complexes are investigated. The kinetic parameters such as the energy of activation (E*), pre-exponential factor (A), activation entropy (ΔS*), activation enthalpy (ΔH*), and free energy of activation (ΔG*) have been reported. Photostability of phenyl benzotriazole as fluorescence dye and their metal complexes doped in polymethyl methacrylate/PMMA were exposed to UV–Vis radiation and the change in the absorption spectra was achieved at different times during irradiation period.     

Syntheses,Crystal Structures,and Antimicrobial Activities of N′-(5-Hydroxy-2-nitrobenzylidene)-4-dimethylaminobenzohydrazide Methanol Solvate and 2-Fluoro-N′-(5-hydroxy-2-nitrobenzylidene)benzohydrazide

Two new hydrazone compounds,N'-(5-hydroxy-2-nitrobenzylidene)-4-dimethyl-aminobenzohydrazide methanol solvate (1) and 2-fluoro-N'-(5-hydroxy-2-nitrobenzylidene)benzo-hydrazide (2),have been synthesized and characterized by elemental analysis,IR spectra,1H NMR,and single-crystal X-ray diffraction.Compound 1 crystallizes in the monoclinic space group P21/c with a=11.571(3),b=12.420(3),c=12.360(2) ?,β=97.495(2)°,V=1761.1(7) 3,Z=4,R=0.0735 and wR=0.1344.Compound 2 crystallizes in the triclinic space group P with a=7.551(3),b=8.254(3),c=11.365(2) ?,α=79.352(2),β=76.154(2),γ=71.624(2)°,V=648.2(4) 3,Z=2,R=0.0393 and wR=0.1008.The hydrazone molecules of the compounds display E configurations with respect to the C=N double bonds.In the crystal structure of 1,the hydrazone molecules are linked by methanol molecules through N-H…O,O-H…N and O-H…O hydrogen bonds,forming chains running along the c axis.In the crystal structure of 2,molecules are linked through N-H…O and O-H…O hydrogen bonds,forming ribbons running along the b axis.The preliminary antimicrobial activities were studied.     

Synthesis and Crystal Structure Analysis of 5′-O-Tosyl-2,3′-anhydrothymidine

In this paper=5′-O-tosyl-2,3′-anhydrothymidine has been synthesized and its crystal structure was analyzed. The crystal belongs to the triclinic system=space group P1=with a=5.397(2)=b=6.1886(18)=c=3.507(5) =α =87.74(2)=β =89.84(4)=γ =73.79(2)°=C17H18N2O6S=Mr=378.39=Z=1=V=432.8(3)3=Dc=1.452 g/cm3=F(000)=198 and Flack =-0.11(14). No intermolecular hydrogen bonds exist in the crystal=and the angle between benzene ring and pyrimidine planes is 32.23°.     

Synthesis and Crystal Structure of N,N′-Bis-[3-chloro-5-S-(l-menthyloxy)-2(5H)-4-furanon-yl]-propane-1,3-diamine

The title compound,N,N′-bis-[3-chloro-5-S-(l-menthyloxy)-2(5H)-4-furanon-yl]-propane-1,3-diamine(C31H48Cl2N2O6,Mr = 615.61),has been synthesized and characterized by IR,1H NMR,MS,elemental analysis and single-crystal X-ray diffraction.The crystal crystallizes in the monoclinic system,space group C2 with a = 16.1091(4),b = 11.1880(3),c = 19.2854(5) ,β = 106.297(2)°,V = 3336.12(15) 3,Z = 4,Dc = 1.226 mg/m3,μ = 0.237 mm-1,F(000) = 1320,the final R = 0.0531 and wR = 0.0700 for 2760 observed reflections(I > 2σ(I)).X-ray analysis reveals that the title compound possesses four rings:two chiral five-membered furanone rings and two six-membered cyclohexane rings with chair conformation,containing eight chiral centers:C2(S),C3(R),C5(R),C10(S),C18(S),C21(R),C22(S) and C25(R).The structure is stabilized by N-H…O hydrogen bonding interaction.     

Synthesis,Crystal Structure,and Biological Activity of Two Complexes based on 5-hydroxy-4′-methoxyisoflavone-3′-sulfonate

Russian Journal of Coordination Chemistry - Two metal complexes [Mn(H2O)6(C16H11O7S)2] · 2H2O (I) and Al(H2O)3(C16H11O7S) · 2H2O (II) were synthesized by reaction of the sodium...     

Synthesis and Crystal Structure of N′-(4-fluorobenzylidene)-2-(1H-1,2,4-triazole-1-yl)acetohydrazide

IntroductionBoth triazole derivatives and Schiff base have beenreported to possess significant antifungal[1—3]and plantgrowth regulatory activities[4—6].Triazole drugs are alsovery common in the medical field,which has given animmense impetus to the res…     

Synthesis and Crystal Structure of a Novel (2:2) Macrocyclic Thiocarbohydrazone

Thiocarbohydrazoneshavebeentestedasantindcrobialandantitumouragentsandwidelyusedinanalyticalchemistry'-'.Ontheotherhand,thechemistryofmacrocycliccompoundshasattTactedcontinuousinterestformanyyears.Thiocarbohydrazide,HZN'N'HC(S)NHN'Hz,anditsSchiffbasecomplexesconstitUteintersstingligandsystemsbecauseoftheavailbilityofseveralpotentialdonorsites,inwhichthioketo-thioenoltautomerismispossible.Significantly,theyareabletoformbothmono-andbinuclearcomplexesbydifferentmethods3-6.Withtheaimofdesign…     

Synthesis and Crystal Structure of a New Cu~II Complex of N,N''''-Bis(quinolin-2-ylmethyl)-1, 4-diazacycloheptane

1 INTRODUCTION Diazamesocyclic ligands occupied an important role in coordination chemistry between acyclic and macrocyclic polyamine ligands for their stronger ligand fields and further functionalizations[1～3]. 1,5- Diazacyclooctane (DACO) and 1,4-diaza…