Synthesis,Crystal Structure and Anticoagulant Activity of 5-Chloro-N-[[（5S）-2-oxo-3-[4-（2- oxopyridin-1 （2H）-yl）phenyl] oxazolidin-5- yl] methyl] thiophene-2-carboxamide①

The title compound(zifaxaban 2, C20H16ClN3O4 S, Mr = 429.87) was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. Zifaxaban crystallizes in monoclinic, space group P21 with a = 5.7900(12), b = 13.086(3), c = 12.889(3) A, β = 100.86(3)°, V = 959.1(3) A3, Z = 2, Dc = 1.489 g/cm3, F(000) = 444, μ = 0.342 mm-1, the final R = 0.0320 and wR = 0.0640 for 2717 observed reflections(I 2σ(I)). The absolute configuration of the stereogenic center in the title compound was confirmed to be S by single-crystal X-ray diffraction. Four existing intermolecular hydrogen bonds help to stabilize the lattice and the molecule in the lattice to adopt an L-shape conformation. Zifaxaban was slightly more active than rivaroxaban 1 in in vitro assay against human FXa and therefore is promising as a drug candidate.     

Mo_8~ⅤW_2~ⅥO_(26)(C_5H_5N)_8·2H_2O: A Novel Mixed-valence Heterometal Polyoxometalate

A new mixed-valence heterometal cluster Mo8VW2VIO26(C5H5N)8·2H2O has been synthesized under solvothermal conditions and characterized by X-ray single-crystal diffraction, IR, UV-vis and XPS spectroscopy. The title compound crystallizes in the triclinic system, space group P1 with a = 11.708(3), b = 12.018(4), c = 13.316(4) , a = 112.184(4), β = 97.844(4), r = 110.043(3)o, V = 1551.9(8) 3 and Z = 1 at 293(2) K. The final full-matrix least-squares refinement converged to R = 0.0414 for 4460 observed unique reflections with I 2σ(I) and w R = 0.1290 for all data(5352) and S = 1.015. In addition, its thermal stability and fluorescent property have also been investigated.     

Synthesis,Crystal Structure and Antitumor Activity of N-（4-tert-butyl-5-（4-chlorobenzyl）thiazol-2-yl）-2,6-difluorobenzamide

The title compound was synthesized by the reaction of 4-tert-butyl-5-(4-chlorobenzyl)-2-aminothiazole with 2,6-difluorobenzoic acid. The crystal structure of the title compound, C21H19ClF2N2OS, was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pbca with a = 12.6479(13), b = 13.1204(13), c = 14.1341(15), Z = 4, V = 2011.5(4)3, Mr = 420.89, Dc = 1.390 g/cm3, S = 1.023, μ = 0.326 mm-1, F(000) = 872, the final R = 0.0365 and wR = 0.0880 for 6101 observed reflections(I 2σ(I)), and R = 0.0507, wR = 0.0978 for 7779 independent reflections. X-ray crystal structure displays that the hydrogen bonding interactions observed link the molecules to form a dimeric unit. The preliminary biological test of the title compound shows good antitumor activity, with IC50 of 0.046 μmol/mL against the Hela cell line.     

Synthesis and Crystal Structure of（S）-N-（hexahydro-2-oxo-1H-azepin-3-yl）-3-phenyl-2-propenamide

The title compound(S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide(C15H18N2O2, Mr = 258.31) was synthesized by the reaction of(S)-α-amino-ε-caprolactam with 3-phenyl-2- propenoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 14.957(3), b = 4.884(1), c = 18.630(4), β = 95.91(3)o, V = 1353.7(5)3, Z = 4, Dc = 1.267 g/cm3, μ = 0.085 mm-1, F(000) = 552, R = 0.0671 and wR = 0.1547 for 2473 observed reflections with I 2σ(I).     

Syntheses,Crystal Structures,and Biological Activities of Two 5-Pyrimidinyl-1,2,4-oxadiazoles

Two 5-pyrimidinyl-1,2,4-oxadiazoles were synthesized through two different routes and their structures were characterized by single-crystal X-ray diffraction, NMR and MS. Compound 3, 5-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)-3-phenyl-1,2,4-oxadiazole, crystallizes in orthorhombic, space group Pbca with a = 19.1575(11), b = 8.2115(5), c = 21.2035(12), V = 3335.6(3)3 and Z = 4. Compound 6, 5-(2,6-dichloropyrimidin-4-yl)-3-phenyl-1,2,4-oxadiazole, crystallizes in monoclinic space group Pn with a = 8.4275(13), b = 5.4088(8), c = 13.493(2), β = 99.768(3)o, V = 4658.6(6)3 and Z = 8. Preliminary bioassay indicated that the two title compounds had good herbicidal activities.     

Synthesis and Crystal Structure of Tianagliflozin Triacetate

The title compound tianagliflozin triacetate 1 was synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic system(C27H31ClO8,Mr = 518.97),space group P21 with a = 5.3913(11),b = 16.137(2),c = 15.411(3) ,β = 94.15(3)°,V = 1337.3(5) 3,Z = 2,Dc = 1.289 g/cm3,F(000) = 548,μ = 0.190 mm-1,the final R = 0.0374 and wR = 0.0809 for 3981 observed reflections(I 2σ(I)).The structure of 1,triacetate of a highly potent SGLT2 inhibitor tianagliflozin,was unambiguously determined by single-crystal X-ray diffraction,which helped to confirm the desired β configuration at the anomeric center and the position where the deoxylation occurred.The two benzene rings in the lattice are basically orthogonal to each other.There are four intermolecular hydrogen bonds in the crystal,which helps to further stabilize the crystal.     

Synthesis,Crystal Structure,and Photoluminescence Properties of One Novel D-π-D Type a-Cyanostilbene Derivative

Researches on a-cyanostilbene derivatives demonstrated them to be promising AIE or AIEE structural molecules and potential photoelectric materials. One novel a-cyanostilbene derivative, namely （E）-2-（4-butoxyphenyl）-3-（4-（diethylamino）phenyl）acrylonitrile （BPDPA）, has been designed, synthesized and characterized. The crystalline structure of BPDPA has been studied in detail. The single-crystal X-ray diffraction revealed BPDPA crystallizes in triclinic space group Pi, with a = 12.860（5）, b = 13.327（5）, c = 15.016（5）А, a = 72.650（5）, β = 66.969（5）, Y = 62.897（5）°, Mr = 696.95, V= 2085.6（13） A3, Z = 2, Dc = 1.110 g/cm-3, p = 0.068 mm1, F（000） = 752, Rint = 0.0264, R（I〉 2σ（/）） = 0.0649, wR（l〉 2σ（/） = 0.1724, R（all data） = 0.1321, wR （all data） = 0.2158, completeness to theta = 25.00 is 99.4% and GOF = 1.067. Like most reported a-cyanostilbene derivatives, BPDPA possesses a somewhat twisted molecular structure. UV-Vis and FL measurements showed an obviously bathochromic effect of BPDPA with increasing the polarity of the solvents.     

Syntheses,Crystal Structures and Antibacterial Activities of Two Heterocyclic Schiff Base Compounds

Two heterocyclic Schiff bases were synthesized via the condensation reactions of primary amines with carbonyl compounds. 2-[(4-pyridylmethylene)-amino] phenol(compound 1) was synthesized by the interaction of 4-pyridinecarboxaldehyde with o-aminophenol in ethanol solvent; N,N‘-bis(3-(furan-2-yl)allylidene)benzene-1,4-diamin(compound 2) was synthesized by the interaction of 3-(2-furyl)acrolein with p-phenylenediamine in ethanol medium. The compounds were characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction. Compound 1(C12H10N2O) crystallizes in the monoclinic system, space group P21/c with a = 7.0771(7), b = 7.2820(7), c = 19.849(2),β= 96.3390(10)°, V = 1016.66(17) ?3, Z = 4, Mr = 198.22, Dc = 1.295 g/cm3, F(000) = 416, GOOF = 1.060, μ= 0.085 mm-1, the final R = 0.0371 and wR = 0.0929 for 1497 observed reflections with I 2σ(I). Compound 2(C20H16N2O2) crystallizes in the orthorhombic system, space group Fdd2 with a = 26.344(15), b = 48.50(3), c = 5.293(3), V = 6764(7) ?3, Z = 16, Mr = 316.35, Dc = 1.243 g/cm3, F(000) = 2656, GOOF = 1.043, = 0.081 mm-1, the final R = 0.0526 and wR = 0.1267 for 2059 observed reflections with I 2σ(I). 1 and 2 molecules are connected through hydrogen bonds to generate a 2D network and a 1D chain structure, respectively. The preliminary antibacterial activity results showed that the title compounds display excellent antibacterial activities to Escherichia coli, Staphylococcus aureus and Bacillus subtilis.     

Microbial synthesis of gold nanoparticles: Current status and future prospects

Gold nanoparticles have been employed in biomedicine since the last decade because of their unique optical, electrical and photothermal properties. Present review discusses the microbial synthesis, properties and biomedical applications of gold nanoparticles. Different microbial synthesis strategies used so far for obtaining better yield and stability have been described. It also includes different methods used for the characterization and analysis of gold nanoparticles, viz. UV–visible spectroscopy, Fourier transform infrared spectroscopy, X ray diffraction spectroscopy, scanning electron microscopy, ransmission electron microscopy, atomic force microscopy, electron dispersive X ray, X ray photoelectron spectroscopy and cyclic voltametry. The different mechanisms involved in microbial synthesis of gold nanoparticles have been discussed. The information related to applications of microbially synthesized gold nanoparticles and patents on microbial synthesis of gold nanoparticles has been summarized.     

Hydrothermal Synthesis and Structural Characterization of a Novel 3-D Open Framework Zinc Phosphate Microporous Compound(C_5N_2H_(14))·[Zn_3(OH_2)(PO_4)_2(HPO_4)]

One novel organically templated zincophophate(C5N2H14)·[Zn3(OH2)(PO4)2(HPO4)] has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction together with elemental analysis, infrared spectroscopy, thermogravimetric analysis, and powder X-ray diffraction. The title compound crystallizes in the monoclinic space group P21/n, with a = 9.7904(11), b = 14.0287(14), c = 11.8651(13) , β = 104.690(3), V = 1576.4(3) 3, Z = 4, T = 296(2) K, Mr = 601.31 and Dc = 2.533 g/cm3. The compound consists of a macroanionic [Zn3(OH2)(PO4)2(HPO4)]2- framework and(C5N2H14)2+ cations, and its structure is built up from ZnO3(OH2), ZnO4, HPO4 and PO4 tetrahedral units that result in 4, 8 and 10-ring channels.