One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis

One new polymer [Co（L）（H2O）2]n（1） was synthesized by 4-（ethoxycarbonyl）-5-methyl-1H-1,2,3-triazole-1-carboxylic acid（Emtc） under the in situ solvent thermal reaction（H2L = 1-（carboxymethyl）-5-methyl-1H-1,2,3-triazole-4-carboxylic acid）. The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2：η-1η-1：η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed.

Synthesis, Characterization and X-ray Structure of N-(4-bromobutanoyl-N'-(2-3-and 4-methylphenyl)thiourea

N-4-（bromobutanoyl）-N＇-（o-, m- and p-tolyl）thioureas 3a, 3b and 3c respectively, were synthesized by the reaction of 4-bromobutanoylisothiocyanate with p-, m- and o-toludine. The products were characterized by IR, and NMR spectroscopic techniques. The two carbonoylthiourea isomers N-（4-bromobutanoyl）-N＇-（3-methylphenyl）thiourea （3b） and N-（4-bromobutanoyl）-N＇-（4- methylphenyl）thiourea （3c） were obtained in crystalline form by recrystallization from DMSO. X- ray crystallographic studies showed that both compounds 3b and 3c crystallize in triclinic system with space group ofPi. The molecules adopt trans-cis configuration with respect to the positions of 4-bromobutanoyl and tolyl groups respectively, against the thiono C=S bond across their C-N bonds The configuration is attributed by the intrahydrogen bond between the carbonyl oxygen and amide hydrogen atoms. Both crystal structures are stabilized by N-H…S intermolecular hydrogen bonds to form dimers and arranged along the b axis.

Synthesis, Crystal Structure and Two-photon Absorption Properties of 4′-(N,N-di(4-hydroxymethyl phenyl) amino)phenyl-2,2′:6′,2''-terpyridine

A novel donor-acceptor （D-A） triphenylamino terpyridine derivative L was facilely synthesized and fully characterized, and its single crystals were obtained and determined by X-ray diffraction analysis. It crystallizes in triclinic, space group P/ with a = 11.760（5）, b =12.516（5）, c = 12.850（5） A, α = 67.141（5）, β= 65.284（5）, γ = 75.876（5）°, Mr = 621.54, F= 1575.6（11） A3, Z= 2, Dc = 1.310 g/cm3,μ = 0.245 mm-1, F（000） = 648, the final R = 0.0671 and wR = 0.1869 for 11328 observed reflections with 1〉 2σ（I）. Linear and nonlinear optical properties of terpyridine derivative L were systematically investigated. The maximum two-photon cross-section of L was 382.5 GM （Goeppert-Mayer）, measured by two-photon excited fluorescence （TPEF） method. This result demonstrates that the increase of intramolecular charge transfer （ICT） leads to enhanced two-photon absorption （2PA）, which could be achieved by introducing additional electron-donor groups to the molecular framework.

Synthesis and Crystal Structure of a Novel Bis(chlorido)-bridged One-dimensional Chain-like Copper(Ⅱ) Polymer

A copper（Ⅱ） complex [LCu2Cl4]n was synthesized by a new bis-Schiff base ligand containing quinoline unit, 1,4-bis[2-（4-fluorophenyl）iminomethyl-8-quinolinoxy]butane（L）. X-ray crystal structure shows that it is a binuclear complex, and the crystal belongs to the triclinic system, space group P1, with a = 9.387（2）, b = 9.968（2）, c = 10.291（2） ？, α = 87.532（3）, β = 63.762（2）, γ = 86.628（3）o, V = 862.1（3） ？^3, Z = 1, Dc = 1.640 Mg/m^3, F（000） = 428, R = 0.0416 and wR = 0.1141. Each Cu（Ⅱ） metal ion coordinates with a quinoline N atom, an imine N atom, an ether oxygen atom and three chlorides, forming a distorted six-coordinated octahedronal structure. Each copper（Ⅱ） complexation unit links with one of the adjacent ligand copper complexation units through the chlorido bridging groups, thus generating an infinite one-dimensional chain structure. Such 1D chains further construct a 2D network structure by π-π stacking interactions.

SYNTHESIS OF HETEROCYCLICCARBOXYLIC DERIVATIVES OF TITANOCENE MOLECULAR STRUCTURE OF (CH_3C_5H_4)Ti((?)co_2)_2

Eight comptexes (RC_5H_4)_2Ti(O_2CA_r)_2(R=H,CH_3;Ar= with 2 equiv.N_aO_2CA_r.The carboxytate ligands in the complexes coordinate to titan^um atom in monodentate mode.(CH_3C_5H_4)_2Ti(O_2CC_4H_3S-2)_2 has four-coordinate bent titanocene in which the thiophencarboxyaltes are a monodeotate ligand(Ti-0=1.981(8)A,1.926(3)A;) 0-Ti-0:91.6(8)~ ; Ti-C:2.333-2.440A).

SYNTHESIS OF DIAMMINEPLATINUM(Ⅱ)ASCORBATE AND STRUCTURE COMPARISON WITH ITS DACH DERIVATIVES

An antitumour complex,cis-diammineplatinum(Ⅱ)ascorbate,has been synthesized and its X-ray structure is given.Quantum chemistry calculation compared with its diaminecyclohexane derivatives indicates that they have different electron distribution.

Syntheses,Structures and Properties for Zn~Ⅱ Coordination Polymers Based on a Functional 4'-(3-Pyridyl)-3,2':6',3''-terpyridine Ligand

Two new Zn~Ⅱ coordination polymers,namely,[Zn L（o-bdc）]n（1） and [Zn L（mbdc）]_n·n H_2O（2）（L = 4？-（3-pyridyl）-3,2？：6？,3？？-terpyridine,H_2（o-bdc） = benzene-1,2-dicarboxylic acid,H_2（m-bdc） = benzene-1,3-dicarboxylic acid）,were synthesized by hydrothermal methods. The crystal structures have been determined by single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic C2/c space group,with a = 28.016（2）,b = 11.3815（11）,c = 19.8071（17） ？,β = 133.961（2）°,V = 4546.2（7） ？3,Z = 8,Mr = 539.83,Dc = 1.577 Mg/m^3,μ = 1.127 mm-1,F（000） = 2208,the final R = 0.0426 and w R = 0.0986 for 2875 observed reflections with I 〉 2σ（I） and displays a 1D coordination chain. While compound 2 crystallizes in monoclinic C2/c space group,with a = 15.6003（14）,b = 11.9152（11）,c = 26.633（3） ？,β = 94.320（2）°,V = 4936.5（8） ？~3,Z = 4,M_r = 1115.67,Dc = 1.496 Mg/m^3,μ = 1.043 mm^（-1）,F（000） = 2272,the final R = 0.0499 and w R = 0.1342 for 2659 observed reflections with I 〉 2σ（I） and shows a classical 3D cds topological network with point symbol of {65.8}. Furthermore,thermal stability and luminescent properties of 1 and 2 have also been investigated.

STRUCTURES OF HAINANENSINE DERIVATIVES

The structures of hainanensine derivatives 3, 4A, 4B and 6 have been established by chemical correlation, spectral analysis and X-ray diffraction.

A 3D Hydrogen-bonded 2-Fold Interpenetrated Supramolecular Structure of Cyclen Derivative

The title compound 1,4,7,10-tetrakis（2-（4-methoxyphenoxy）ethyl）-1,4,7,10-tetraazacyclododecane hydrobromide derivated from cyclen has been synthesized by 4-methoxyphenol via two steps and characterized by ^1H NMR and X-ray single-crystal diffraction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174（15）, b = 12.9891（11）, c = 19.3379（17） A, V = 4349.8（7） ？3, Z = 4, Dc = 1.304 g/cm3, Mr = 853.87, F（000） = 1808, μ = 1.001 mm^-1, Mo Ka radiation（λ = 0.71073 A）, R = 0.0467 and w R = 0.1045 for 2774 observed reflections with I 〉 2σ（I）. X-ray structural analysis reveals that the molecular structure of the title compound is stabilized by intramolecular C–H···O and C–H···Br hydrogen-bonding interactions, and a 3D 2-fold interpenetrated supramolecular framework is constructed by intermolecular C–H···O and C–H···Br hydrogen-bonding interactions.

Crystal Structure of the Coordination Polymer of Sodium with Hydrazone Derivant of Acetoacetanilide

One new polymer, [Na（NPHSNPAB）（CH3OH）]n, where NPHSNPAB stands for Nphenyl-2-[2-hydroxy-3-sulfo-5-nitrophenylhydrazone]butadione-1,3, has been synthesized and characterized by ^1H NMR and FTIR spectroscopy and single-crystal X-ray diffraction. For this complex： C（17）H（17）N4NaO9S, Mr = 476.39, triclinic system, space group P1, a = 8.8741（18）, b = 10.942（2）, c = 12.039（2） A, α = 65.74（3）, β = 77.49（3）, γ = 84.30（3）o, V = 1040.3（4） A3, Z = 2, Dc = 1.521 g/cm^3, λ = 0.71073 A, F（000） = 492, S = 1.106, R = 0.0614 and w R = 0.1423 for 2945 observed reflections with I 〉 2（I）. X-ray structural analysis revealed that the structure of NPHSNPAB framework was almost planar by C–H···O, N–H···O, O–H···O, and O–H···S hydrogen bonds. Moreover, sodium（I） center was bound by six O and one N atoms, forming the coordination polymer. The molecular packing diagram showed complicated hydrogen bonds and π···π stacking interaction in the polymer. The average bond distance of the two dicyclic units（3.768 A） indicated strong π···π stacking interaction. The complex displays greenyellow emission at room temperature.

Synthesis and insecticidal evaluation of phytoalexin phenalenones derivatives

Phenalenone is a kind of defensive compound biosynthesized inside plants in response to the outside attack such as fungus and nematodes.A set of derivatives encompassing structural modifications on the privileged phenalenone scaffold were synthesized through introduction of phenyl and hydroxy!substitutes at 9-positon and 2-position and assessed their insecticidal activities against armyworm（Mythimna separata Walker） and cowpea aphids[Aphis craccivora）.No obvious insecticidal activities of the synthesized compounds were observed against armyworm.Some of the 9-phenyl and 2-hydroxy substituted phenalenone analogues showed potential activities against cowpea aphids with 33%-41%mortality at 500 mg/L.

Decoquinate derivatives:A new class of potent antischistosomal agents against Schistosoma japonicum

Decoquinate（1）, an old and inexpensive coccidiostat, exhibited potent antimalarial activity, however, its antischistosomal activity against Schistosoma japonicum has not yet been evaluated. Based on decoquinate, a series of decoquinate derivatives was designed, synthesized, evaluated as a new class of antischistosomal agents against S. japonicum adult worms in vitro. Among them, compound 15 killed 100% of adult S. japonicum in 72 h at the concentration of 10 mmol/L in vitro, exhibited stronger wormkilling activity than PZQ in vitro and could serve as a promising lead compound to develop new antischistosomal agents.