• Title/Summary/Keyword: p-정밀화

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The Crystal and Molecular Structure of Fenothiocarb, $C_{13}H_{19}NO_2S$. (Fenothiocarb, $C_{13}H_{19}NO_2S$의 결정 및 분자구조)

  • 박권일;조성일
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.63-68
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    • 1995
  • The crystal structure of fenothiocarb(S-4-phenoxybutyl dimethylthiocarbamate), C13H19NO2S is monoclinic, space group P21/c, a=9.045(1)Å, b=14.577(2)Å, c=10.727(2)Å, β=103.56(1)°, Z=4, V=1375.20(6)Å3, Dc=1.23g/cm3, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=544, temperature : 293±3K, R=0.049 for 1543 unique observed reflections. The structure was determined by direct method and refined by full-matrix least squares method. The molecules are contacted to the c axis with two fold screw and van der Waales force.

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Structure of Tetrapropionyloxycalix[4]arene (Tetrapropionyloxycalix[4]arene의 구조에 관한 연구)

  • 박영자;김현희
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.80-87
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    • 1995
  • The structure of Tetrapropionyloxycalix[4]arene(C40H40O8) has been studied by X-ray diffraction method. The crystal is monoclinic a=13.921(3), b=13.552(2), c=19.840(5)Å, β=110.38(2)°, Z=4 T=297K, Dc=1.23gcm-3, F(000)=1376, Systematic absences : hkl none, h0l : h+l=2n, 0k0: k=2n define space group P21/n. The structure was solved by direct method and refined by full-matrix least-squares methods to final R of 0.06 for 2514 observed reflections. The macrocycle exists in partial cone conformation. Three propionyl groups direct toward the exterior of the macrocycle cavity.

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Crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind (1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind의 결정구조해석)

  • 조소라;김문집
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.27-35
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    • 1995
  • The crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind [C24H36O8N2S] has been from single crystal x-ray diffraction study ; C24H36O8N2S triclinic, p1, a=11.363(8)Å, b=11.589(6)Å, c=11.013(10)Å,α=95.32(6)°,β=98.64(7)°,γ=79.57(5)°,V=1406.8(18)Å3, t=293K, Z=2, CuKα(λ=1.5418Å). The molecular structure was solved by diredt method and refined by full-matrix least squares to a final R=9.78% for 3621 unique observed [F≥4σ(F)] reflections and 703 paramenters.

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Crystal Structure of Nalidixic Acid (Nalidixic Acid의 결정구조)

  • 김문집;신준철
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.98-102
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    • 1995
  • The crystal structure of -Ethyl-1,4-dihydro-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid [Nalicixic Acid] has been determined from single crystal X-ray diffraction study; C12H12N2O3, monoclinic, P21/c, a=8.910(2)Å, b=13.145(3)Å, c=9.370(3)Å, β =100.06(2)°, V=1080.6Å, T=293K, Z=4, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=0.055 for 1555 unique observed [F0>4σ(F0)] reflections and 166 parameters. The conformation of the molecule is stabilized by an intramolecular O(17)-H(17)…O(14) hydrogen bond [2.525(2)Å, 144.3(10)°].

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Crystal Structure of Two-Dimensional Bis(isonicotinato)tet-raaquazinc(II) Complex Linked by Hydrogen-Bonds (수소 결합에 의한 이차원의 Bis(isonicotinato)tetraaquazinc(II) 착물의 결정구조)

  • Park, Ki-Young;Kim, Moon-Jip;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.13 no.1
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    • pp.17-20
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    • 2002
  • The complex [Zn(L)₂(H₂O)₄] (1) (L = isonicotinate) has been prepared and characterized by X-ray crystallography. Compound 1 crystallizes in the triclinic space group P1, with a = 6.9062(4) , b = 9.2618(7) , c = 6.3313(3) , α = 104.986(6)°, β = 112.865(4)°, γ = 96.213(6)°, V = 350.41(4) , Z = 1, R₁(wR₂) for 1225 observed reflections of [I > 2σ(I)] was 0.0209 (0.0591). The coordination environment of the zinc atom can be described as an octahedron in which the isonicotinato ligands are mutually trans. Compound 1 is also connected into a two-dimensional chain via hydrogen-bonds.

Crystal Structure of N[1(benzotriazol-1-yl)butyl]-p-nitroaniline (N-[1-(benzotriazol-1-yl)butyl]-p-nitroaniline의 구조)

  • Jo, So-Ra;Kim, Mun-Jip;Seong, Nak-Do
    • Korean Journal of Crystallography
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    • v.5 no.2
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    • pp.78-84
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    • 1994
  • The crystal structure of N-11-(benzotriazol-1-yl)butyl]-P-nitroaniline ( C16H17N502) has been determinedfromsingle crystal x-ray diffractionstudy:C16H17N502 monoclinic, P21/n, a=17542(2)A, b=10.755(3)A, c=8.891(1)A, β=104.58(1)˚, V=1623.4(5)A3, 7=293(2)K, Z=4, Cuka(A = 1.5418A) , The molecular structure was solved was by direct meshed refined by full-matrix least squares to a final R =0.0411 for 2248 unique observed [F≥4o(p) ] reflections and 255 Parameters. The crystal structure is stabilized by intermolecular N (11) -Hl 1 (Nl 1) ‥‥N (3) hydrogen bond with N(11) ‥‥ N(3) =3.136(2)A and N(11)-Hll(Nll)‥‥N(3) =164.1(15) ˚.

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The Crystal and Molecular Structure of P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$ (P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$의 결정 및 분자구조)

  • 박권일;조성일
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.43-48
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    • 1995
  • The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

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Antimicrobial, Antioxidant and Cellular Protective Effects against Oxidative Stress of Anemarrhena asphodeloides Bunge Extract and Fraction (지모 뿌리 추출물과 분획물의 항균활성과 항산화 활성 및 세포보호 연구)

  • Lee, Yun Ju;Song, Ba Reum;Lee, Sang Lae;Shin, Hyuk Soo;Park, Soo Nam
    • Microbiology and Biotechnology Letters
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    • v.46 no.4
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    • pp.360-371
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    • 2018
  • Extracts and fractions of Anemarrhena asphodeloides Bunge were prepared and their physiological activities and components were analyzed. Antimicrobial activities of the ethyl acetate and aglycone fractions were $78{\mu}g/ml$ and $31{\mu}g/ml$, respectively, for Staphylococcus aureus and $156{\mu}g/ml$ and $125{\mu}g/ml$, respectively, for Pseudomonas aeruginosa. 1,1-Diphenyl-2-picrylhydrazyl free radical scavenging activities ($FSC_{50}$) of 50% ethanol extract, ethyl acetate fraction, and aglycone fraction of A. asphodeloides extracts were $146.2{\mu}g/ml$, $23.19{\mu}g/ml$, and $71.06{\mu}g/ml$, respectively. The total antioxidant capacity ($OSC_{50}$) in an $Fe^{3+}$-EDTA/hydrogen peroxide ($H_2O_2$) system were $17.5{\mu}g/ml$, $1.5{\mu}g/ml$, and $1.4{\mu}g/ml$, respectively. The cytoprotective effect (${\tau}_{50}$) in $^1O_2$-induced erythrocyte hemolysis was 181 min with $4{\mu}g/ml$ of the aglycone fraction. The ${\tau}_{50}$ of the aglycone fraction was approximately 4-times higher than that of (+)-${\alpha}$-tocopherol (${\tau}_{50}$, 41 min). Analysis of $H_2O_2$-induced damage of HaCaT cells revealed that the maximum cell viabilities for the 50% ethanol extract, ethyl acetate fraction, and aglycone fraction were 86.23%, 86.59%, and 89.70%, respectively. The aglycone fraction increased cell viability up to 11.53% at $1{\mu}g/ml$ compared to the positive control treated with $H_2O_2$. Analysis of ultraviolet B radiation-induced HaCaT cell damage revealed up to 41.77% decreased intracellular reactive oxygen species in the $2{\mu}g/ml$ aglycone fraction compared with the positive control treated with ultraviolet B radiation. The findings suggest that the extracts and fractions of A. asphodeloides Bunge have potential applications in the field of cosmetics as natural preservatives and antioxidants.

Structure of Tetra-ter-butyl-tetrapropionyloxycalix[4]arene (Tetra-tert-butyl-tstrapropionyloxycalix [4] arene의 구조)

  • 김회진;노광현
    • Korean Journal of Crystallography
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    • v.4 no.1
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    • pp.25-35
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    • 1993
  • Tetra-tert-butyl-tetrapropionycalix (4) arena (C56H7208) is Triclinic, space group Pl, with a=13.664(5), b=17.585(5), c=12.863(2)A, a=109.33(2), B=111.97(2), γ=76.45(3) ˚, Z=2, V=2684.08A3, D, =1.152g/cm3, Dm=1.15g/cm3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Mo-Ka radiation. The structure was solved by direct methods and refined by leastsquares methods. The final R factor was 0.084 for 2561 observed reflections. The configuration of the molecule from the X-ray crystallographic investigation has the partial cone conformation, three tort-butylphenyls are down and a tort-butylphenyl is up. Three propionyloxy groups direct toward the exterior of the macrocycle cavity.

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Improvement of precision of three-dimensional ceramic microstructures employing silica nanoparticle-mixed precursor (나노 실리카분말의 충진효과를 이용한 극미세 3차원 세라믹 구조물 정밀화)

  • Lim T.W.;Park S.H.;Yang D.Y.;Pham Tuan Anh;Kim D.P.
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2006.05a
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    • pp.157-158
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    • 2006
  • A novel nanofabrication process has been developed using two-photon crosslinking (TPC) for the fabrication of three-dimensional (3D) SiCN ceramic microstructures applicable to high functional 3D devices, which can be used in harsh working environments requiring a high temperature, a resistance to chemical corrosion, as well as tribological properties. After sequential processes: TPC and pyrolysis, 3D ceramic microstructures are obtained. However, large shrinkage due to low-ceramic yield during the pyrolysis is a serious problem to be solved in the precise fabrication of 3D ceramic microstructures. In this work, silica nanoparticles were employed as a filler to reduce the amount of shrinkage. In particular, the ceramic microstructures containing 40 wt% silica nanoparticles exhibited relatively isotropic shrinkage owing to its sliding free from the substrate during pyrolysis.

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