• 제목/요약/키워드: Single crystal X-ray diffraction

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Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권4호
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    • pp.250-257
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    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.

Crystal Structure Analysis of Methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

  • Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권3호
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    • pp.184-191
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    • 2015
  • The crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}NO_4$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the orthorombic space group $P2_12_12_1$ with unit cell dimension $a=9.8320(17){\AA}$, $b=9.9890(18){\AA}$ and $c=15.588(3){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=90^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...O and C-H...N hydrogen bond interaction.

Crystal Structure Analysis of N,N'-bis(3-chloro-2-methylsalicylidene)-1,4-butanediamine

  • Sharmila, P.;Rajesh, R.;Venkatesan, R.;Ganapathy, Jagadeesan;Aravindhan, S.
    • 통합자연과학논문집
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    • 제9권4호
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    • pp.255-260
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    • 2016
  • The crystal structure of the saliciline derivatives N,N'-bis(3-chloro-2-methylsalicylidene)-1,4-butanediamine ($C_{20}H_{22}Cl_2N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the triclinic space group $P{\bar{i}}$ with unit cell dimension $a=4.6085(3){\AA}$, $b=5.9747(3){\AA}$ and $c=5.9747(3){\AA}$ [${\alpha}=83.889(4)^{\circ}$, ${\beta}=86.744(5)^{\circ}$ and ${\gamma}=82.085(5)^{\circ}$]. The title compound is essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...N intra molecular interactions

Crystal Structure Analysis of 4-Chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol

  • Sharmila, P.;Rajesh, R.;Venkatesan, R.;Ganapathy, Jagadeesan;Aravindhan, S.
    • 통합자연과학논문집
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    • 제9권4호
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    • pp.261-267
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    • 2016
  • The crystal structure of the saliciline derivatives 4-chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol ($C_{15}H_{15}ClNO_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group P21/c with unit cell dimension $a=11.5241(2){\AA}$, $b=8.733(2){\AA}$ and $c=13.649(2){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=130.876(2)^{\circ}$ and ${\gamma}=90^{\circ}$]. the title compound are essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...O inter molecular interactions.

스컬(Skull)법에 의한 Y-Ba-Cu-O계 단결정 성장 (Y-Ba-Cu-O Single Crystals Growth by Skull Method)

  • 정대식;오근호
    • 한국세라믹학회지
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    • 제27권1호
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    • pp.43-47
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    • 1990
  • An attempt was made to grow Y-Ba-Cu-O single crystals by skull method(cold crucible process). Grown YBa2Cu3O7-x(YBC) single crystals were obtained from the upper part of the YBC solid mixture. There were plate-like YBC single crystals aligned with solidified flux along the crystal growth direction. Single crystal size was (5$\times$2$\times$0.2㎣) and was grown to a-b plane of YBC crystal structure which can flow super currents. Optical microscope and X-ray diffraction were employed characterize these microstructure and YBC single crystals.

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HWE 방법에 의한 $AgGaS_2$단결정 박막성장과 특성에 관한 연구 (A study on the growth and characteristics of $AgGaS_2$ single crystal thin film by hot wall epitaxy)

  • 홍광준;정준우
    • 한국결정성장학회지
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    • 제8권2호
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    • pp.211-220
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    • 1998
  • 수평 전기로에서 $AgGaS_2$ 다결정을 합성하여 HWE 방법으로 $AgGaS_2$ 단결정 박막을 성장하였다. $AgGaS_2$ 단결정 박막을 성잘할 때 증발원과 기판의 온도를 각각 $590^{\circ}C$, $440^{\circ}C$로 성장하였을 때 이중결정 X-선 요동곡선(double crystal X-ray diffraction rocking curve, DCRC)의 반폭치(FWHM)값이 124 arcsec로 가장 작아 최적 성장조건이었다. 상온에서 $AgGaS_2$ 단결정 박막의 광흡수 특성으로부터 에너지 띠간격이 2.61cV였다. Band edge에 해당하는 광전도도 peak의 온도 의존성은 Varshni 관계식으로 설명되었으며, Vaeshni 관계식의 상수값은 Eg(0) = 2.7284eV, $\alpha$= 8.695$\times$10-4 eV/K, $\beta$= 332K 로 주어졌다. 광발광 봉우리는 20K에서 414.3nm(2.9926eV)와 414.1nm(2.7249eV)는 free exciton(Ex)의 upper polariton과 lower polariton인 {{{{{E}`_{x} ^{u} }}}}와 {{{{{E}`_{x} ^{L} }}}}, 423.6nm(2.9269eV)는 bound exciton emission에 의한 I로 관측되었다. 또한 455nm(2.7249eV)의 peak는 donor-acceptor pair(DAP)에 기인하는 광발광 봉우리로 관측되었다.

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A Study on the Condition of Single Crystal Neutron Experiment

  • Lee, Yun-Peel
    • Nuclear Engineering and Technology
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    • 제4권1호
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    • pp.31-34
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    • 1972
  • X-선회절 실험에서 불필요한 관측치에 대한 실제실험치의 비율을 높이기 위한 역격자공간방법을 중성자의 경우에 응용하고 여러가지 실험방법을 택하는 경우에 적합한 검출기의 크기에 대한 관계식을 도출하였다.

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Fabrication of Single Crystal Poly(3,4-ethylenedioxythiophene) Nanowire Arrays

  • Cho, Bo-Ram;Sung, Myung-M.
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.537-537
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    • 2012
  • We have studied a fabrication of vapor phase polymerized Poly(3,4-ethylenedioxythiophene) (PEDOT) nanowire arrays for the first time. The vapor-phase polymerization (VPP) technique is a bottom-up processing method that utilizes the organic arrangement of macromolecules to easily produce ordered aggregates, including on the nanoscale, or prepare thin films of self-assembled molecules, micropatterns, or modified microstructures of pure conducting polymers. Also, liquid-bridge-mediated nanotransfer molding (LB-nTM), which was reported as a new direct patterning method recently, is for the arrayed formation of two- or three-dimensional structures with feature sizes as small as tens of nanometers over large areas up to 4 inches across and is based on the direct transfer of various materials from a mould to a substrate through a liquid bridge between them. The PEDOT nanowires grown by VPP method and transferred on a substrate to use LB-nTM method have been fabricated to single crystal PEDOT nanowires investigated Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Selected Area Electron Diffraction (SAED), X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), and electrical properties.

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Synthesis and Characterization of New Group 13 Complexes of 2-Acetylpyridine-S-methyldithiocarbazate. Single-Crystal Structure of Me₂Ga[$NC_5H_4C$(CH₃)NNC(S)SMe] and Me₂In[$NC_5H_5C$(CH₃)NNC(S)SMe]

  • 백철기;강상욱;이채호;이영행;고재정
    • Bulletin of the Korean Chemical Society
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    • 제18권3호
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    • pp.311-316
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    • 1997
  • The synthesis and characterization of the mononuclear group 13 heterocyclic carboxaldehyde methyldithiocarbazate complexes Me2M[NC5H4CRNNC(S)SCH3] (M=Al, R=H(1); M=Ga, R=H(2); M=Al, R=CH3(3); M-Ga, R=CH3(4); M=In, R=CH3(5)) are described. Compounds 1-5 were prepared by the reaction of MMe3 (M=Al, Ga, In) with 2-formy or 2-acetylpyridine-S-methyldithiocarbazate in toluene. These compounds 1-5 have been characterized by microanalysis, NMR (1H, 13C) spectroscopy, mass spectra, and single-crystal X-ray diffraction. X-ray single-crystal diffraction analyses reveal that 4-5 are mononuclear metal compounds with coordination number of 5 and N,N,S coordination mode.

RAMBE를 사용하여 Si 기판 위에 성장된 AIN 박막의 결정성 분석 (Microstructural ananalysis of AlN thin films on Si substrate grown by plasma assisted molecular beam epitaxy)

  • 홍성의;한기평;백문철;조경익;윤순길
    • 한국진공학회지
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    • 제10권1호
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    • pp.22-26
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    • 2001
  • Plasma assisted molecular beam epitaxy(PAMBE)를 사용하여 Si 기판위에 성장시킨 AlN 박막에 대하여 성장온도 및 기판의 방향성에 따른 박막의 결정성 변화를 분석하였다. Reflection high energy electron diffraction(RHEED) 패턴을 이용하여 성장 중의 결정성을 관찰하였고, 성장 후에는 X-ray diffraction(XRD), double crystal X-ray diffraction(DCXD), transmission electron microscopy/diffraction(TEM/TED)분석을 하였다. $850^{\circ}C$이상의 온도에서 Si(100)위에 성장된 AlN박막은 육방정계의 c축 방향으로 우선 배향되어 있음을 확인하였으며 Si(111)위에 성장된 AlN박막의 경우 AlN(0001)/Si(111), AlN(1100)/Si(110), AlN(1120)/Si(112)의 결정방위를 가지고 성장하였음을 확인하였다. 또한 Si(111) 기판 위에서는 전위와 적층결함 등 많은 결정결함에 의해 DCD패턴의 반치폭이 2$\theta$=$36.2^{\circ}$에서 약 3000arcsec에 이르는 등 결정성은 좋지 않았으나 AlN박막이 단결정으로 성장된 것으로 나타났다.

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