A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 ...A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 5660(3) nm, c =1 3512(3) nm, α=90 00°, β=94 39(1)°, γ=90 00°, V =3 6037(12) nm 3, Z =4 . The complex is a ten-coordinated one with a lanthanum ion surrounded by a N 4O 6 set. The crystal structure is stabilized by hydrogen bonds between water molecules and NO - 3 anions.展开更多
The title complex [CoL（H20）3]2·H2O （C26H46N4O21S4CO2）, where L = taurine-5- methyl-2-hydroxyisophthalaldehydes, has been synthesized and characterized by IR and X-ray diffraction analysis. The crystal of the ...The title complex [CoL（H20）3]2·H2O （C26H46N4O21S4CO2）, where L = taurine-5- methyl-2-hydroxyisophthalaldehydes, has been synthesized and characterized by IR and X-ray diffraction analysis. The crystal of the complex belongs to the triclinic system, space group P1, with a = 11.197（4）, b = 13.309（5）, c = 14.486（5） ]A, a = 78.827（13）,β = 70.547（11）, γ = 81.058（13）°, Mr = 996.77, S = 1.08, V= 1987.2（13） A3, Z = 2, Dc = 1.666 g/cm3, F（000） = 1032,μ = 1.131 mm^-1, R = 0.0633 and wR = 0.1293. According to the structural analysis, the Co（ Ⅱ ） ion adopts a slightly distorted six-coordinated octahedral geometry. One N atom of the Schiff base of each molecule was hydrogenated to form hydrogen bond with O atom. Two coterminous molecules packed in one crystal water molecule are linked by intermolecular hydrogen bonds, thus generating an infinite chain constructed by hydrogen bonds.展开更多
Promoted and mediated by an ionic liquid-[bmim][BF4], fused pyrans or arylbis（4-hydroxy-6-methyl-2-oxo-2H-pyran-3- yl）methanes were efficiently and selectively prepared from the reaction of aldehyde and 4-hydroxy-6-...Promoted and mediated by an ionic liquid-[bmim][BF4], fused pyrans or arylbis（4-hydroxy-6-methyl-2-oxo-2H-pyran-3- yl）methanes were efficiently and selectively prepared from the reaction of aldehyde and 4-hydroxy-6-methyl-2-oxo-pyran with or without acetic anhydride. By using these novel procedures, pyrimidine nucleoside-fused pyran and arylbis（pyranon-3-yl）methane hybrids with potential biological activities were constructed.展开更多
A new emissive mononuclear homoleptic Cu（Ⅰ） complex of 5-rert-butyl-3-（6-methyl-2-pyridyl）-1H-1,2,4-triazole（bmptzH）,[Cu（bmptzH）2]（ClO4）（1）,has been synthesized by treatment of[Cu（PPh_3）2（CH3CN）2]（C...A new emissive mononuclear homoleptic Cu（Ⅰ） complex of 5-rert-butyl-3-（6-methyl-2-pyridyl）-1H-1,2,4-triazole（bmptzH）,[Cu（bmptzH）2]（ClO4）（1）,has been synthesized by treatment of[Cu（PPh_3）2（CH3CN）2]（ClO4） or [Cu（CH3CN）4]（ClO4） with the bmptzH ligand.It is revealed that complex 1 displays a distorted N4 tetrahedral arrangement formed by two bmptzH chelates,in which bmptzH adopts a neutral bidentate chelating coordination mode using the N atom of the pyridyl ring and the 4-N not 2-N atom of the 1,2,4-triazolyl ring.It is shown that complex 1 is highly stable and exhibits good luminescence properties in solution and solid states at room temperature due to the introduction of a methyl group at the ortho-position of the pyridyl ring.展开更多
High quality perovskite films with large columnar grains are greatly desired for efficient perovskite solar cells. Here, low volatility N-methyl-2-pyrrolidone(NMP) was added in MAI/IPA solution in a two-step spin-coat...High quality perovskite films with large columnar grains are greatly desired for efficient perovskite solar cells. Here, low volatility N-methyl-2-pyrrolidone(NMP) was added in MAI/IPA solution in a two-step spin-coating method, which promoted the conversion of lead iodide to perovskite. The perovskite films were annealed by a closed-steam annealing method to prolong the recrystallization process of perovskite films assisted by the residual NMP. It leaded to high quality CH_3NH_3PbI_3 perovskite films with large columnar grains due to its enhancement of the Oswald ripening. The large grain perovskite film leaded to efficient carrier transformation and injection, and low recombination. The photovoltaic performance of the perovskite solar cells was improved significantly.展开更多
An improved method for preparation of 4-methyl-2-phenyl piperazine and its derivatives with higher yield and inexpensive reagents was developed, the products were characterized by 1H-NMR and MS.
A new soluble polymer on 2-[(2 E)-1-methyl-2-buten-1-yl]aniline and its copolymers with aniline basis have been synthesized in various molar ratios. For all samples, the electrical conductivity, morphology, solubility...A new soluble polymer on 2-[(2 E)-1-methyl-2-buten-1-yl]aniline and its copolymers with aniline basis have been synthesized in various molar ratios. For all samples, the electrical conductivity, morphology, solubility, electrochemical properties, as well as spectral and molecular mass characteristics have been studied, and a comparative analysis with polyaniline has been carried out. The substituent introduced into the aniline aromatic ring significantly improves the solubility in typical organic solvents of a high molecular weight product. The morphology of the test compounds depends on the co-monomer ratio. As the content of the substituted aniline in the initial mixture increases, the morphology of the polymer changes from the inherent polyaniline fibrous microstructure to the globular one with irregular substituted polyaniline shapes and sizes. Electrochemical study of the samples revealed that the higher the oxidation potential, the wider the band gap(ranging from 2.00 to 2.15). The electrical conductivity decreases in proportion to the increase in the substituted aniline concentration of the initial co-monomer mixture and amounts to 12.5–35.7 × 10~6 nSm.展开更多
4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole Ⅰ, prepared by the reaction of 1-methyl-2-trichloroacetylpyrrole with Br2 in 98.6 % yield, was condensed with methyl L-2-amino-3- phenylpropanoate to afford methyl 2-（4,...4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole Ⅰ, prepared by the reaction of 1-methyl-2-trichloroacetylpyrrole with Br2 in 98.6 % yield, was condensed with methyl L-2-amino-3- phenylpropanoate to afford methyl 2-（4,5-dibromo-1-methylpyrrole-2-carboxmido）-3-phenylpropanoate Ⅱ in 90.8% yield. Crystal data for Ⅰ： monoclinic system, space group P21/c with a = 8.595（3）, b = 10.900（4）, c = 12.321（5） ,A°,β = 92.292（7）°, V = 1153.4（8）A°^3, Dc = 2.213 g/cm^3, F（000） = 728, CTH4Br2Cl3NO, Mr = 384.28, λ = 0.71073 A°, μ（MoKa） = 7.688 mm^-1, Z = 4, R = 0.0338 and wR2 = 0.0840 for 1963 observed reflections with I 〉 2a（I）. Crystal data for Ⅱ： monoclinic system, space group P21 with a = 4.886（2）, b = 15.921（8）, c = 11.635（6） A°,β = 101.803（9）°, V = 885.9（7） A°^3, Dc = 1.665 g/cm^3, F（000） = 440, C16H16Br2N2O3, Mr = 444.13, λ = 0.71073 A°, μ（MoKa） = 4.590 mm^-1, Z = 2, R = 0.0335 and wR2 = 0.0837 for 3191 observed reflections with I 〉 2σ（I）. The crystal structure reveals that compound Ⅱ forms the one-dimensional chain structure via the intermolecular hydrogen bonds of N（2）-H…O（1）.展开更多
2,4-Dichlorophenoxyacetyl（thio）urea and S-（＋）-3-methyl-2-（4-chlorophenyl）butyramides were synthesized via acylation,aminolysis,esterification and addition reactions,and the partial new compounds have desirable ...2,4-Dichlorophenoxyacetyl（thio）urea and S-（＋）-3-methyl-2-（4-chlorophenyl）butyramides were synthesized via acylation,aminolysis,esterification and addition reactions,and the partial new compounds have desirable bioactive activity.展开更多
The title compound S-（＋）-N＇-tertbutylaminocarbonyl-N-[3-methyl-2-（4-chlorophenyl）butyryl] thiourea has been synthesized and its crystal structure was determined by singlecrystal X-ray diffraction analysis. There...The title compound S-（＋）-N＇-tertbutylaminocarbonyl-N-[3-methyl-2-（4-chlorophenyl）butyryl] thiourea has been synthesized and its crystal structure was determined by singlecrystal X-ray diffraction analysis. There exist intramolecular N（2）-H（2A）…O（1）, C（17）-H（17A）… O（2） and N（3）-H（3A）…S（1） hydrogen bonds as well as intermolecular N-H…O interaction between the carbonyl and amidogen groups. Crystallographic data： CITH24ClN3O2S, Mr = 369.90, monoclinic, space group C2/c with a = 22.9922（19）, b = 14.4844（12）, c = 12.4618（11） A, β = 92.608（2）°, V = 4145.8（6） ]k3, Z = 8, Dc = 1.185 g/cm^3, F（000） = 1568, g（MoKa） = 0.298 mm^-1, R = 0.0578 and wR = 0.1308.展开更多
The title compound （R）-N′-[2-（4-methoxy-6-chloro）-pyrimidyl]-N-[3-methyl-2-（4- chlorophenyl）butyryl]-urea has been synthesized, and its crystal structure and biological behaviors were studied. Crystallographic ...The title compound （R）-N′-[2-（4-methoxy-6-chloro）-pyrimidyl]-N-[3-methyl-2-（4- chlorophenyl）butyryl]-urea has been synthesized, and its crystal structure and biological behaviors were studied. Crystallographic data： C17H18C12N4O3, Mr = 397.25, monoclinic, space group P21/c, a = 12.331（2）, b = 14.025（3）, c = 23.085（5） A, β = 99.607（4）°, Z = 8, V = 3936.2（13） A3, Dc = 1.341 g/cm^3, F（000） = 1648, R = 0.0718, wR = 0.1585 and/t（MoKα） = 0.353 mm^-1. The preliminary biological tests showed that the title compound has definite insecticidal and fungicidal activities.展开更多
By using 1-methyl-2-formyl-5 -Y-substituted pyrrole (4-nitrophenyl)hydrazones as a model for nitrogen-containing heterocyclic aromatic compounds, the emission wavelength [lambda(max(em))] values df their fluorescence ...By using 1-methyl-2-formyl-5 -Y-substituted pyrrole (4-nitrophenyl)hydrazones as a model for nitrogen-containing heterocyclic aromatic compounds, the emission wavelength [lambda(max(em))] values df their fluorescence spectra have been measured. Correlation results show that the Delta E-em values are mainly affected by polar effects, but spin-delocalizatin effects also exist.展开更多
Compound 5-methyl-2-phenyl-4-[（Z）-3-tolylamino-phenylmethylene]pyrazol-3（2H）-one （C24H21N3O） crystallizes in the triclinic system, space group P1, with a = 9.267（3）, b = 9.904（4）,c = 12.035（4） A°, α ...Compound 5-methyl-2-phenyl-4-[（Z）-3-tolylamino-phenylmethylene]pyrazol-3（2H）-one （C24H21N3O） crystallizes in the triclinic system, space group P1, with a = 9.267（3）, b = 9.904（4）,c = 12.035（4） A°, α = 97.896（6）, β = 103.865（6）, γ = 107.950（6）°, Mr= 367.44, Z = 2, V = 993.2（6）A°^3,Dc = 1.229 g/cm^3,μ（MoKa） = 0.077 mm^-1 and F（000） = 388. The structure was refined to R =0.0444 and wR = 0.1199 for 2903 observed reflections （I 〉 2σ（I））. The results of ^1H NMR and single-crystal X-ray diffraction studies showed the enamine character of the compound. The strong intramolecular hydrogen bonds in the large conjugate system, together with weak intermolecular C-H……π hydrogen bonding and π……π stacking, lead to the formation of a multi-dimensional supramolecular network.展开更多
The synthesis of （S）-2-（3-arylacrylamido）-3-{4-[2-（5-methyl-2-phenyloxazol-4-yl）etho- xy]phenyl}propanoic acids is described. Their structures were confirmed by ^1H-NMR.
The title complex has been synthesized and its crystal structure was determined by X-ray diffraction. Prisms of Cd (C_(21)H_(24)N_4)(NO_3)_2(1) crystallize in the triclinic space group P with cell dimensions a= 8.112(...The title complex has been synthesized and its crystal structure was determined by X-ray diffraction. Prisms of Cd (C_(21)H_(24)N_4)(NO_3)_2(1) crystallize in the triclinic space group P with cell dimensions a= 8.112(1),b=8. 837(2), c=17.236(4),α=78. 80(2),β=89. 99(2),γ=74. 35(2)°,V=1167.4(6),Mr=568. 86, Z=2, F(000)=576,μ= 9.78 cm-1 and Dc= 1. 618 g/cm￣3. 2756 unique reflections with I≥3σ(I) on refinement afforded values of R=0. 047 and R_w=0. 055.The Cd(Ⅱ) atom is surrounded by three oxygen atoms from two nitrate groups and three nitrogen atoms from TLA ligand in a distorted octahedron.展开更多
The BMPPT (4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione)was synthesized from BMPP. Its m.p. is 106-108℃. The results of the element analysis are as follows: C, 68.51%, H, 4.51%, N, 9.26%, S, 11.47%, wh...The BMPPT (4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione)was synthesized from BMPP. Its m.p. is 106-108℃. The results of the element analysis are as follows: C, 68.51%, H, 4.51%, N, 9.26%, S, 11.47%, which are in conformity with the theoretical value (C, 69.15%, H, 4.76%, N, 9.52%, S, 10.90%). The solvent extraction of Th4+ from nitric acid solution by BMPPT in benzene was studied. The extraction ability of BMPPT is not so high as that of its parent (BMPP). The Th4+ distribution ratio (DTh) increases with the increasing pH of the aqueous phase, and pH1/2 for Th4+ was 3.2 ([BMPPT]=0.10 mol/L). When the pH increases, the distribution ratio of Th4+ increases linearly with the slope of 1 .59. When the concentration of BMPPT increases, the distribution ratio of Th4+ increases rapidly. The lgDTh-lg[BMPPT] is linear with the slope of 1.42 and the extraction mechanism is the cation ion-exchange.展开更多
The title compound 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 3 （C28H23Cl2N5O2, Mr = 532.41） has been synthesized and its...The title compound 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 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）A, α = 112.566（1）, β = 92.324（2）, γ = 102.91（1）°, V= 1315.65（10） A^3, Z = 2, Dc = 1.344 g/cm^3,μ（MoKa） = 0.282 mm^-1, λ = 0.71073 A, 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.展开更多
基金Supported by the National Natural Science Foundation of China( No. 2 98710 14 ) and the Foundation of Doctor byL anzhou U niversit
文摘A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 5660(3) nm, c =1 3512(3) nm, α=90 00°, β=94 39(1)°, γ=90 00°, V =3 6037(12) nm 3, Z =4 . The complex is a ten-coordinated one with a lanthanum ion surrounded by a N 4O 6 set. The crystal structure is stabilized by hydrogen bonds between water molecules and NO - 3 anions.
基金Supported by the Natural Science Foundation of Guangxi Province (No. 0339034)the Science Research Foundation of Guangxi Normal University
文摘The title complex [CoL（H20）3]2·H2O （C26H46N4O21S4CO2）, where L = taurine-5- methyl-2-hydroxyisophthalaldehydes, has been synthesized and characterized by IR and X-ray diffraction analysis. The crystal of the complex belongs to the triclinic system, space group P1, with a = 11.197（4）, b = 13.309（5）, c = 14.486（5） ]A, a = 78.827（13）,β = 70.547（11）, γ = 81.058（13）°, Mr = 996.77, S = 1.08, V= 1987.2（13） A3, Z = 2, Dc = 1.666 g/cm3, F（000） = 1032,μ = 1.131 mm^-1, R = 0.0633 and wR = 0.1293. According to the structural analysis, the Co（ Ⅱ ） ion adopts a slightly distorted six-coordinated octahedral geometry. One N atom of the Schiff base of each molecule was hydrogenated to form hydrogen bond with O atom. Two coterminous molecules packed in one crystal water molecule are linked by intermolecular hydrogen bonds, thus generating an infinite chain constructed by hydrogen bonds.
基金the National Natural Science Foundation of China(No.20772025)the Program for Science & Technology Innovation Talents in Universities of Henan Province(No.2008HASTIT006)the Natural Science Foundation of Department of Education of Henan Province(No.2008A150013).
文摘Promoted and mediated by an ionic liquid-[bmim][BF4], fused pyrans or arylbis（4-hydroxy-6-methyl-2-oxo-2H-pyran-3- yl）methanes were efficiently and selectively prepared from the reaction of aldehyde and 4-hydroxy-6-methyl-2-oxo-pyran with or without acetic anhydride. By using these novel procedures, pyrimidine nucleoside-fused pyran and arylbis（pyranon-3-yl）methane hybrids with potential biological activities were constructed.
基金supported by the National Natural Science Foundation of China(Nos.21561013,21501077)the Major Program of Jiangxi Provincial Natural Science Foundation of China for Young Scholar(Nos.20143ACB21017,20161ACB21013)+1 种基金the Jiangxi Provincial Natural Science Foundation of China(Nos.20142BAB203001,20151BAB213003)the Program for Qingjiang Excellent Young Talents of Jiangxi University of Science and Technology
文摘A new emissive mononuclear homoleptic Cu（Ⅰ） complex of 5-rert-butyl-3-（6-methyl-2-pyridyl）-1H-1,2,4-triazole（bmptzH）,[Cu（bmptzH）2]（ClO4）（1）,has been synthesized by treatment of[Cu（PPh_3）2（CH3CN）2]（ClO4） or [Cu（CH3CN）4]（ClO4） with the bmptzH ligand.It is revealed that complex 1 displays a distorted N4 tetrahedral arrangement formed by two bmptzH chelates,in which bmptzH adopts a neutral bidentate chelating coordination mode using the N atom of the pyridyl ring and the 4-N not 2-N atom of the 1,2,4-triazolyl ring.It is shown that complex 1 is highly stable and exhibits good luminescence properties in solution and solid states at room temperature due to the introduction of a methyl group at the ortho-position of the pyridyl ring.
基金financially supported by the National Natural Science Foundation of China(Grant No.21463002)Startup Funding of Distinguished Professorship of "1000 Talents Program"(31370086963030)+4 种基金Shenzhen Jiawei Photovoltaic Lighting Co.,Ltd.Tsinghua University Initiative Scientific Research Program(20161080165)Natural Science Foundation of Xinjiang Uygur Autonomous Region(No.2016D01C008)Opening Project of State Key laboratory of Crystal Material(No.KF1610)Scientific Research Program of the Higher Education Institution of Xinjiang(XJEDU2017M038)
文摘High quality perovskite films with large columnar grains are greatly desired for efficient perovskite solar cells. Here, low volatility N-methyl-2-pyrrolidone(NMP) was added in MAI/IPA solution in a two-step spin-coating method, which promoted the conversion of lead iodide to perovskite. The perovskite films were annealed by a closed-steam annealing method to prolong the recrystallization process of perovskite films assisted by the residual NMP. It leaded to high quality CH_3NH_3PbI_3 perovskite films with large columnar grains due to its enhancement of the Oswald ripening. The large grain perovskite film leaded to efficient carrier transformation and injection, and low recombination. The photovoltaic performance of the perovskite solar cells was improved significantly.
文摘An improved method for preparation of 4-methyl-2-phenyl piperazine and its derivatives with higher yield and inexpensive reagents was developed, the products were characterized by 1H-NMR and MS.
基金carried out within the framework of the state task program (No. AAAA-A19-119020890014-7)
文摘A new soluble polymer on 2-[(2 E)-1-methyl-2-buten-1-yl]aniline and its copolymers with aniline basis have been synthesized in various molar ratios. For all samples, the electrical conductivity, morphology, solubility, electrochemical properties, as well as spectral and molecular mass characteristics have been studied, and a comparative analysis with polyaniline has been carried out. The substituent introduced into the aniline aromatic ring significantly improves the solubility in typical organic solvents of a high molecular weight product. The morphology of the test compounds depends on the co-monomer ratio. As the content of the substituted aniline in the initial mixture increases, the morphology of the polymer changes from the inherent polyaniline fibrous microstructure to the globular one with irregular substituted polyaniline shapes and sizes. Electrochemical study of the samples revealed that the higher the oxidation potential, the wider the band gap(ranging from 2.00 to 2.15). The electrical conductivity decreases in proportion to the increase in the substituted aniline concentration of the initial co-monomer mixture and amounts to 12.5–35.7 × 10~6 nSm.
基金The project was supported by the National 863 Program of China (No. 2004AA628030), and Natural Science Foundation of Guangdong Province (No. 31920)
文摘4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole Ⅰ, prepared by the reaction of 1-methyl-2-trichloroacetylpyrrole with Br2 in 98.6 % yield, was condensed with methyl L-2-amino-3- phenylpropanoate to afford methyl 2-（4,5-dibromo-1-methylpyrrole-2-carboxmido）-3-phenylpropanoate Ⅱ in 90.8% yield. Crystal data for Ⅰ： monoclinic system, space group P21/c with a = 8.595（3）, b = 10.900（4）, c = 12.321（5） ,A°,β = 92.292（7）°, V = 1153.4（8）A°^3, Dc = 2.213 g/cm^3, F（000） = 728, CTH4Br2Cl3NO, Mr = 384.28, λ = 0.71073 A°, μ（MoKa） = 7.688 mm^-1, Z = 4, R = 0.0338 and wR2 = 0.0840 for 1963 observed reflections with I 〉 2a（I）. Crystal data for Ⅱ： monoclinic system, space group P21 with a = 4.886（2）, b = 15.921（8）, c = 11.635（6） A°,β = 101.803（9）°, V = 885.9（7） A°^3, Dc = 1.665 g/cm^3, F（000） = 440, C16H16Br2N2O3, Mr = 444.13, λ = 0.71073 A°, μ（MoKa） = 4.590 mm^-1, Z = 2, R = 0.0335 and wR2 = 0.0837 for 3191 observed reflections with I 〉 2σ（I）. The crystal structure reveals that compound Ⅱ forms the one-dimensional chain structure via the intermolecular hydrogen bonds of N（2）-H…O（1）.
基金Supported by the Key Laboratory of Rare Earth Functional Materials of Shanghai City,China(No.07dz22303)the Key Scientific and Technological Project of Shanghai City,China(No.09391912100)
文摘2,4-Dichlorophenoxyacetyl（thio）urea and S-（＋）-3-methyl-2-（4-chlorophenyl）butyramides were synthesized via acylation,aminolysis,esterification and addition reactions,and the partial new compounds have desirable bioactive activity.
基金This work was supported by the National Key Technologies R & D Programs of China (No. 2004BA-308A22-8)
文摘The title compound S-（＋）-N＇-tertbutylaminocarbonyl-N-[3-methyl-2-（4-chlorophenyl）butyryl] thiourea has been synthesized and its crystal structure was determined by singlecrystal X-ray diffraction analysis. There exist intramolecular N（2）-H（2A）…O（1）, C（17）-H（17A）… O（2） and N（3）-H（3A）…S（1） hydrogen bonds as well as intermolecular N-H…O interaction between the carbonyl and amidogen groups. Crystallographic data： CITH24ClN3O2S, Mr = 369.90, monoclinic, space group C2/c with a = 22.9922（19）, b = 14.4844（12）, c = 12.4618（11） A, β = 92.608（2）°, V = 4145.8（6） ]k3, Z = 8, Dc = 1.185 g/cm^3, F（000） = 1568, g（MoKa） = 0.298 mm^-1, R = 0.0578 and wR = 0.1308.
基金This work was sponsored by the National Key Technologies R & D Programs (No. 2004BA308A22-8)
文摘The title compound （R）-N′-[2-（4-methoxy-6-chloro）-pyrimidyl]-N-[3-methyl-2-（4- chlorophenyl）butyryl]-urea has been synthesized, and its crystal structure and biological behaviors were studied. Crystallographic data： C17H18C12N4O3, Mr = 397.25, monoclinic, space group P21/c, a = 12.331（2）, b = 14.025（3）, c = 23.085（5） A, β = 99.607（4）°, Z = 8, V = 3936.2（13） A3, Dc = 1.341 g/cm^3, F（000） = 1648, R = 0.0718, wR = 0.1585 and/t（MoKα） = 0.353 mm^-1. The preliminary biological tests showed that the title compound has definite insecticidal and fungicidal activities.
文摘By using 1-methyl-2-formyl-5 -Y-substituted pyrrole (4-nitrophenyl)hydrazones as a model for nitrogen-containing heterocyclic aromatic compounds, the emission wavelength [lambda(max(em))] values df their fluorescence spectra have been measured. Correlation results show that the Delta E-em values are mainly affected by polar effects, but spin-delocalizatin effects also exist.
文摘Compound 5-methyl-2-phenyl-4-[（Z）-3-tolylamino-phenylmethylene]pyrazol-3（2H）-one （C24H21N3O） crystallizes in the triclinic system, space group P1, with a = 9.267（3）, b = 9.904（4）,c = 12.035（4） A°, α = 97.896（6）, β = 103.865（6）, γ = 107.950（6）°, Mr= 367.44, Z = 2, V = 993.2（6）A°^3,Dc = 1.229 g/cm^3,μ（MoKa） = 0.077 mm^-1 and F（000） = 388. The structure was refined to R =0.0444 and wR = 0.1199 for 2903 observed reflections （I 〉 2σ（I））. The results of ^1H NMR and single-crystal X-ray diffraction studies showed the enamine character of the compound. The strong intramolecular hydrogen bonds in the large conjugate system, together with weak intermolecular C-H……π hydrogen bonding and π……π stacking, lead to the formation of a multi-dimensional supramolecular network.
基金This work was supposed by the National High Technology Research and Development Program of China(863 project:2003AA235010).
文摘The synthesis of （S）-2-（3-arylacrylamido）-3-{4-[2-（5-methyl-2-phenyloxazol-4-yl）etho- xy]phenyl}propanoic acids is described. Their structures were confirmed by ^1H-NMR.
文摘The title complex has been synthesized and its crystal structure was determined by X-ray diffraction. Prisms of Cd (C_(21)H_(24)N_4)(NO_3)_2(1) crystallize in the triclinic space group P with cell dimensions a= 8.112(1),b=8. 837(2), c=17.236(4),α=78. 80(2),β=89. 99(2),γ=74. 35(2)°,V=1167.4(6),Mr=568. 86, Z=2, F(000)=576,μ= 9.78 cm-1 and Dc= 1. 618 g/cm￣3. 2756 unique reflections with I≥3σ(I) on refinement afforded values of R=0. 047 and R_w=0. 055.The Cd(Ⅱ) atom is surrounded by three oxygen atoms from two nitrate groups and three nitrogen atoms from TLA ligand in a distorted octahedron.
文摘The BMPPT (4-benzoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-thione)was synthesized from BMPP. Its m.p. is 106-108℃. The results of the element analysis are as follows: C, 68.51%, H, 4.51%, N, 9.26%, S, 11.47%, which are in conformity with the theoretical value (C, 69.15%, H, 4.76%, N, 9.52%, S, 10.90%). The solvent extraction of Th4+ from nitric acid solution by BMPPT in benzene was studied. The extraction ability of BMPPT is not so high as that of its parent (BMPP). The Th4+ distribution ratio (DTh) increases with the increasing pH of the aqueous phase, and pH1/2 for Th4+ was 3.2 ([BMPPT]=0.10 mol/L). When the pH increases, the distribution ratio of Th4+ increases linearly with the slope of 1 .59. When the concentration of BMPPT increases, the distribution ratio of Th4+ increases rapidly. The lgDTh-lg[BMPPT] is linear with the slope of 1.42 and the extraction mechanism is the cation ion-exchange.
基金the Science Research Foundation of Henan Institute of Science and Technology (No. 06036)
文摘The title compound 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 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）A, α = 112.566（1）, β = 92.324（2）, γ = 102.91（1）°, V= 1315.65（10） A^3, Z = 2, Dc = 1.344 g/cm^3,μ（MoKa） = 0.282 mm^-1, λ = 0.71073 A, 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.
