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

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굴참나무재의 목섬유 및 도관 cellulose의 결정구조 (Crystal Structures of the Vessel Elements and the Wood Fibers of Quercus variabilis BLUME)

  • 김남훈;이원용
    • Journal of the Korean Wood Science and Technology
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    • 제21권1호
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    • pp.15-20
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    • 1993
  • X-ray diffractograms of the vessel elements and the wood fibers of Quercus variabilis BLUME were recorded and resolved into characteristic reflections of cellulose I. Some differences were observed in the ratio of integrated intensity and crystallinity index between vessel elements and wood fibers. Present results suggest that cellulose crystal structure in the hardwood species was varied with the elements of wood.

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Structural Analysis of 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic Acid Ethyl Ester through X-ray Crystallography

  • Ganapathy, Jagadeesan;Pramesh, M.;Perumal, P.T.;Sanmargam, Aravindhan
    • 통합자연과학논문집
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    • 제8권3호
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    • pp.192-203
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    • 2015
  • In view of the growing medicinal importance of pyrazole and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic acid ethyl ester ($C_{37}H_{31}BrN_4O_4$, H2O). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group $P{\hat{i}}$ with unit cell dimension $a=13.361(18){\AA}$, $b=13.424(17){\AA}$ and $c=21.649(2){\AA}$ [${\alpha}=80.745(9)^{\circ}$, ${\beta}=79.770(10)^{\circ}$ and ${\gamma}=60.788(6)^{\circ}$]. The pyrazole ring adopts planar conformation. The sum of the bond angles at nitrogen atom of the pyrazole ring indicates the $Sp^2$ hybridized state. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.

X 선(線) 회절법(回折法)에 의한 Tension Wood의 결정구조(結晶構造) 해석 (Crystal Structure of Tension Wood by X-ray Diffraction Method)

  • 이원용;김남훈
    • Journal of the Korean Wood Science and Technology
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    • 제21권4호
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    • pp.73-78
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    • 1993
  • Crystal structure of tension, opposite and lateral wood of Platanus orientalis L. were analysed in some aspects of crystallinity index, crystallite size, d-spacing of (200) and (004), and integrated intensity ratios with X-ray diffraction method. Crystallinity index and crystallite width in tension wood appeared somewhat larger than opposite or lateral wood. However, d-spacing and integrated intensity ratios were nearly identical irrespective of tension, opposite, and lateral wood.

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수중의 철 제거 시 생기는 산화철의 결정구조에 관한 연구 (On the Crystalline Structures of Iron Oxides formed During Removal Process of Iron in Water)

  • 조봉연
    • 대한토목학회논문집
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    • 제26권1B호
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    • pp.107-111
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    • 2006
  • 2종류의 제철 반응조에 있어서, 각종의 반응조건 하에 생성한 산화철을 x-ray회절과 M$\ddot{o}$ssbauer spectroscopy실험으로 철산화 물질을 동정한 결과, 여재 표면에 부착한 철 산화물의 결정은 pH 조건에 관계없이 Ferrihydrite($Fe_5HO_8{\cdot}4H_2O$)이었으며, Batch(회분) 실험에서 생긴 철 산화 물질은 가수분해에 의해 생긴 것으로, Microcrystalline Goethite 이었다.

디플루니살의 불균일 결정구조 (Disordered Crystal Structure of Diflunisal $(C_{13}H_{8}F_{2}O_{3})$)

  • 김양배;박일영
    • Journal of Pharmaceutical Investigation
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    • 제26권1호
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    • pp.55-59
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    • 1996
  • The crystal structure of diflunisal, 2',4'-difluoro-4-hydroxy-3-biphenyl-carboxylic acid, was determined by single crystal X-ray diffraction technique. The compound was recrystallized from a mixture of acetone and water in monoclinic, space group C2/c, with $a\;=\;34.666(6),\;b\;=\;3.743(1),\;c\;=\;20.737(4)\;{\AA},\;{\beta}=\;110.57(2)^{\circ}$, and Z = 8. The calculated density is $1.324\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.045 for 1299 observed reflections. It was found that the molecules in the crystal are partially disordered, that is, the two equivalent conformers $(180^{\circ}$ rotated ones through C(1)-C(7)) are packed alternatively without regular symmetry or sequence. The two phenyl rings of the biphenyl group is tilted to each other by the dihedral angle of $43.3^{\circ}$. The carboxyl group at the salicylic moiety is just coplanar to the phenyl ring, and the planarity of this salicylic moiety is stabilized by an intramolecular hydrogen bond of O(3)-H(O3) O(2). The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

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Growth and Photoconductive Characteristics of $AgInS_2$ Single Crystal Thin Films by the Hot Wall Epitaxy

  • Hong, Kwang-Joon
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2004년도 하계학술대회 논문집 Vol.5 No.1
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    • pp.381-384
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    • 2004
  • The stochiometric nix of evaporating materials for the $AgInS_2$ single crystal thin films were prepared from horizontal furnace. The polycrystal structure obtaind from the power x-ray diffraction was chalcopyrite. The lattice costants $a_0\;and\;c_0$ were $a_0=5.86(5.82)\;A,\;c_0=11.355(11.17)\;A$. To obtains the single crystal thin films, $AgInS_2$ mixed crystal were deposited on throughly etched GaAs(100) by the Hot Wall Epitaxy(HWE) system. The temperates of the source and the substrate were $590^{\circ}C\;and\;450^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the double crystal X-ray diffraction(DCXD). Hall effect on this sample was measured by the method of van der Pauw and studied on carrier density and mobility dependence on temperature. In order to explore the applicability as a photoconductive cell, we measured the sensitivity($\gamma$), the ratio of photocurrent to dark current (pc/dc), maximum allowable power dissipation(MAPD), spectral response and response time.

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Crystal Structure of Byakangelicin ($C_{17}H_{18}O_{7}$)

  • Kim, Yang-Bae;Oh, Yong-Ho;Park, Il-Yeung;Shin, Kuk-Hyun
    • Archives of Pharmacal Research
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    • 제25권3호
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    • pp.275-279
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    • 2002
  • The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.

X-선 회절 및 격자 매개변수를 이용한 biphasic calcium phosphate 분말의 생분 해성 특성평가 (Characterization of the biodegradable behavior for biphasic calcium phosphates using X-ray diffraction and lattice parameter)

  • 김동현;송창원;김태완;진형호;박홍채;윤석영
    • 한국결정성장학회지
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    • 제21권4호
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    • pp.169-174
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    • 2011
  • 합성된 biphasic calcium phosphate(BCP) 분말의 나노크기 생분해성 거동은 X-선 회절 분석방법, 격자 매개변수 및 전계방출형 주사전자현미경을 통해 특성평가 하였다. BCP 분발은 공침반응 및 하소과정을 통해 합성하였고, 합성된 분발은 행크 용액 (pH = 7.4, $36.5^{\circ}C$)을 이용하여 3주 동안 in vitro 시험 하였다 분해 시험(in vitro) 후, BCP 단위포의 매개변수는 a 및 c축의 불규칙한 변화와 비슷한 격자 왜곡 및 팽창 거동을 보였다.

반도체 HgCdTe의 전자 밀도 분포와 결정 구조 (The electron density distribution and the structure of semiconductor HgCdTe)

  • Kook-Sang Park;Ky-Am Lee
    • 한국결정성장학회지
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    • 제4권4호
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    • pp.388-394
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    • 1994
  • 단결정 Hg(1-x)Cd(x)Te (MCT,X=0,21)가 특수 제작된 고압로에서 Traveling Heater Method(THM)으로 성장되었다.X-선 회절 실험으로 MCT는 입방ZnS 구조임을 확인하였다. 측정된 격자상수는 $6.464 {\AA}$이엇으며, J.C.Wooley가 측정한 값과 비교하여 얻은 MCT의 성분비는 0.21이었다.MCT의 결정 구조를 분석하기 위하여 X-선 회절 강도로 부터 전자 밀도를 계산하였다.전자 분포 밀도도로 부터 MCT는 주로 공유 결합을 하고 있으며, 인접 원자들 상에는 사면체 구조를 이루고 있음을 알 수 있다. 격자 상수가 Vegard line으로 부터 편이 되는 원인은 성분비x가 증가될 때 원자간 거리 변화의 비선형적 증가로 판단되며, 이것은 결합 에너지와 관련될 것으로 추축된다.

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Correlation between composition and structure of PtxNiy alloy nanodendrites

  • Lee, Young-Woo;Kwak, Da-Hee;Park, Kyung-Won
    • 한국결정성장학회지
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    • 제26권5호
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    • pp.165-170
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    • 2016
  • We have synthesized $Pt_xNi_y$ alloy nanodendrites by a thermal decomposition method. The structure and composition of the as-prepared samples were characterized by field-emission transmission electron microscopy (FE-TEM), energy dispersive X-ray (EDX) spectroscopy, and X-ray diffraction (XRD). The growth mode of the $Pt_xNi_y$ alloy samples synthesized as a function of an intended atomic fraction of Ni was likely to be strongly affected by and reduction (or oxidation) potentials and surface energy.