Synthesis and Crystal Structure of N-((3-(2-nitrophenyl) propanoyl)oxy)-N-phenylbenzamide

The title compound N-（（3-（2-nitrophenyl） propanoyl）oxy）-N-phenylbenzamide（C22H18N2O5,Mr = 390.38） was synthesized with nitrobenzene as the starting materials and structurally characterized by 1H NMR,13 C NMR,IR,H RMS（E-SI） and single-crystal X-ray diffraction.The crystalline structure of the title compound was studied in detail.The single-crystal X-ray diffraction revealed that the compound crystallizes in monoclinic,space group P21/n,with a = 14.4481（7）,b = 8.0089（5）,c = 16.6808（9） A,α = 90.00（5）,β = 100.069（5）,γ = 90.00（5）°,Mr = 390.38,V = 1900.46（18） A^3,Z = 4,Dc = 1.364 g/cm^-3,μ = 0.098,F（000） = 816.0,the final R = 0.0530 and w R = 0.1141 for 2525 observed reflections（I 〉 2σ（I））,R（all data） = 0.0813,w R（all data） = 0.1335,completeness to theta of 26.020 is 99.8% and GOF = 1.085.The crystal structure contains three branched chains with its center placed at the midpoint of N.The phenyl ring（C（8）~C（13）） makes a dihedral angle of 83.5（1） ℃ with the phenyl ring（C（1）~C（6））,and 80.5（1） ℃with the nitro-substituted benzene ring（C（17）~C（22））,indicating that the three rings are not coplanar.Hydrogen bonds（C（10）–H（10）···O（3））,（C（15）–H（15B）···O（4） and C（16）–H（16B）···O（4）） together with π-π stacking interactions stabilize the structure of the molecule.The preliminary biological test shows that the title compound has good antitumor activity against A549 in vitro with the IC50 value of 3.17 μmol.

Synthesis and Structural Characterization of Organophosphorus Ylide-1-(3-nitrophenyl)-2-(triphenyl phosphoranylidene)ethanone

The title compound Ph3P=C（H）C（O）PhNO2 （L） has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-（3,nitrophenyl）ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6（1）°. The crystal （C26H20NO3P, Mr = 425.40） belongs to the monoclinic system, space group P21/n with a = 10.889（3）, b = 14.467（3）, e = 13.872（4）A, β = 103.08（3）°, V = 2128.6（10） A3, Z= 4, T= 100（2） K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ（I）.

Synthesis,Crystal Structure and Anti-tumor Activity of 2-(2-Chloro-4-nitrophenyl)-4-(4-chlorophenyl)-3a,4-diethoxy-2,3,3a,4-tetrahydrochromeno[3,4-d][1,2,3]diazaphosphole

The title compound 2-（2-chloro-4-nitrophenyl）-4-（4-chlorophenyl）-3a,4- diethoxy- 2,3,3a, 4-tetrahydrochromeno[3,4-d][1,2,3]diazaphosphole 2 （C29H30Cl2N3O7P, Mr = 633.44） was synthesized and its structure was characterized by IR, MS, ^1H NMR, ^13C NMR, ^31p NMR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1^-, a = 9.1549（3）, b = 10.7168（4）, c = 17.6272（6）A, α = 102.9363（12）, β = 90.2713（9）, γ = 117.4265（10）°, V= 1484.41（9）A^3, Z= 2,μ（MoKa） = 0.323, F（000） = 658, Z= 2, De= 1.417 g/cm^3, the final R = 0.0687 and wR = 0.2066 for 4943 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the diazaphospholine ring is almost planar and the two ethoxy groups bonded on the 3a- and 4-positions are in trans configurations. Its antiproliferative activity was also tested in vitro against four human tumor cell lines.

Synthesis and Crystal Structure of 4-Chloro-N-(2-(2-nitrophenyl)acetoxy)-N-(m-tolyl)benzamide

The new title compound 4-chloro-N-（2-（2-nitrophenyl）acetoxy）-N-（m-tolyl）benza- mide （C：2HI7C1N2Os, Mr = 424.82） has been synthesized via the reaction of 4-chloro-N-hydroxy-N- （m-tolyl）benzamide with 2-（2-nitrophenyl）acetyl chloride. The structure of the product was confirmed by 1H NMR, 13C NMR, IR, HRMS （ESI） and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21/c with a = 13.0269（10）, b =6.7251（6）, c = 23.9313（16） A, β = 99.931（6）°, V = 2065.1（3） A3, Z = 4, Dc = 1.366 g/cm3, F（000） = 880,μ = 0.221 mm-1, the final R = 0.0600 and wR = 0.1754 for 1981 observed reflections （I〉 20（/））. X-ray analysis indicates that the chloro-phenyl ring （C（10）℃（15）） and the methyl-substituted benzene ring （C（16）℃（21）） are not coplanar with the nitro-substituted benzene ring （C（1）--C（6））, with the dihedral angle to be 70.78° and 63.72°, respectively. Hydrogen bonds C（2）-H（2）...O（2） and C（7）-H（7B）...O（5） are observed.

(Z)-N-(3-(2-Chloro-4-nitrophenyl)-4-methylthiazol-2(3H)-ylidene) Pivalamide: Synthesis and Crystal Structure

Synthesis of the title compound was carried out by base-catalyzed cyclization of 1-pivaloyl-3-(2-chloro-4-nitrophenyl) thiourea with α-bromoacetone produced in situ. The structure was confirmed by the spectroscopic and elemental analysis and single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1 with unit cell dime sions a = 8.7137(10), b = 10.2010(14), c = 10.6593(13), α = 62.671(9), β = 82.701(10), γ = 79.762(10), V = 827.21(8) ?3, Z = 2.

The Colour Reaction of Mercury with 1-(6-Ethoxyl-2-benzothiazolyl)-3-(4-Nitrophenyl)-Triazene and its Application

A new triazene reagent 1-(6-ethoxyl-2-benzothiazolyl)-3-(4-nitrophenyl)-triazene (EtOBThTPT) has been synthesized. The colour reaction of EtOBTNPT with Hg(II) has been studied. At pH = 10.1-10.7, in the presence of Triton X-100, the reagent with Hg(II) forms an orange-yellow complex with high sensitivity. The molar absorptivity is 2.38 X 10(5) L.mol(-1).cm(-1). Beer's law is obeyed for Hg(II) in the range of 0-7 mu g/25 ml.

Synthesis of A New Reagent 1-(6-Nitro-2-Benzothiazolyl)-3-(4-Nitrophenyl)-Triazene and Study on Its Color Reaction with Cadmium

This paper introduces the synthesis of a new color reagent 1-(6-nitro-2-benzothiazolyl)3-(4-nitrophenyl)-triazene (NBTNPT) and the color reaction of NBTNPT with Cd (II) has been studied. In the presence of Triton X-100, the reagent with Cd (II) forms an orange-yellow complex (1:1) at pH=11.5-12.3, the molar absorptivity is 2.81x10(5)L . mol(-1)m(-1) by dual-wavelength spectrophotometry, Beers law is obeyed in the range of 0-280 mu g/L for Cd (II).

The First Hyperpolanzability of 3,5-dimethyl-1-(4-nitrophenyl)-1, 2,4-triazole

Compact and high reliable blue coherent light sources are required for the optical data storage of high density, color image processing and optical measurements.One of the possible approaches is the direct frequency doubling of the near infrared semiconductor laser by optical waveguide techniques. So a material applied to the second harmonic generation (SHG) must not only have high molecular hyperpolarizability (β) but also have complete transparency at both the