• 제목/요약/키워드: X-ray Structure Analysis

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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.

The Crystal Structure of KR-27042, An Analgesic Capsaicinoid

  • Park, No-Sang;Kim, Yang-Bae;Jeong, Eun-Ju;Chung, Uoo-Tae;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • 제25권1호
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    • pp.25-27
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    • 2002
  • The crystal structure of KR-21042, N-(3-Phenylpropyl )-4-hydroxy-3-methoxyphenylacetamide, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of ethylacetate and n-hexane in monoclinic, space group $P2_1/c$, with a = 16.622(1), b = 6.215(1), c = 15.802(1) ${\AA},{\;}{\beta}=104.97(1)$, and Z = 4 The calculated density is $1.261{\;}g/cm^3$The structure was solved by the direct method and refined by full matrix least-squares procedure to the fecal R value of 0.068 for 2332 observed reflections.

The crystal structure of pirprofen$(C_{3},\; H_{14},\; ClNO_2$), a non-steroidal antiinflammmatory agent

  • Kim, Yang-Bae;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • 제19권1호
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    • pp.71-73
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    • 1996
  • The molecular structure of pirprofen, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-.alpha.-methyl-benzeneacetic acid, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of chloroform and toluene in triclinic, space group P over $\bar1,\; with\; a=4.577(1),\; b=11.213(2),\; C=12.485(2){\AA},\alpa.=107.39(1),\;\beta=97.79(1),\;\gamma=92.03(2),\; and Z=2$ The calculated density is $1.384 g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.034 for 1681 independent reflections. The non-aromatic dihydropyrrol group is found to be coplanar to the central aromatic ring. The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

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Crystal Structure and Characterization of a New Eight Coordinated Cadmium Complex

  • Hakimi, Mohammad;Moeini, Keyvan;Mardani, Zahra;Khorrami, Farzaneh
    • 대한화학회지
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    • 제57권3호
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    • pp.352-356
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    • 2013
  • In this work, a new cadmium complex $[Cd(L)(CH_3COO)_2].2H_2O$ (1) with the ligand L, N,N'-bis(2-pyridinecarboxalidene)-1,2-cyclohexanediamine was prepared and identified by elemental analysis, FT-IR, Raman, $^1H$ NMR spectroscopy and single-crystal X-ray diffraction. The cadmium atom in the crystal structure of 1 has distorted triangular dodecahedral geometry by coordination of the four nitrogen atoms of L and four oxygen atoms of the two acetate ions. Two water molecules are also incorporated in the crystal network. The $O-H{\cdots}O$ hydrogen bonds present in the crystal structure of 1. In this work, three structural surveys including coordination numbers of the cadmium atom, coordination modes of L and resonance in pyridine-2-ylmethanimine-based compounds are presented.

X-ray CT를 이용한 분무식 방수 멤브레인의 공극 내 물 침투 분석 (Analysis of Water Penetration through Pores in Spray-applied Waterproofing Membrane Using X-ray CT Images)

  • 최순욱;강태호;장수호;이철호;최명식;김광염
    • 한국지반신소재학회논문집
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    • 제16권4호
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    • pp.211-219
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    • 2017
  • 분무식 방수 멤브레인은 3-5mm 두께로 숏크리트 또는 콘크리트 면에 타설하여 불투수층을 형성시킴으로써 방수효과를 나타낸다. 본 연구는 공극을 포함하는 분무식 방수 멤브레인을 조사하기 위하여 X-ray CT기술을 이용하여 내부구조를 파악하였다. 분무식 방수 멤브레인의 X-ray이미지를 얻기 전에 28일 동안 500kPa의 수압을 작용시키는 방수성능시험을 수행하였고 물이 침투되어있는 멤브레인 시편에 대해 X-ray CT를 실시하였다. 그 결과, 멤브레인 내부의 큰 공극들이 포화되어 있지 않은 점과 미세공극의 포화도가 높은 점을 볼 때, 수분의 이동이 미세공극을 통해 이루어지는 것으로 예상할 수 있었다. 또한 X-ray 이미지는 멤브레인 내부의 공극 크기 및 분포와 함수여부를 판단하는데 효과적임을 알 수 있었으나, 함수량을 계산하기 위해 적용하는 임계값에 따라 함수율의 차이가 발생할 수 있으므로 이에 대한 주의가 필요하다.

CHANDRA SPECTROSCOPY OF SUPERNOVA REMNANT 3C 391

  • CHEN YANG;SU YANG;SLANE PATRICK O.;WANG Q. DANIEL
    • 천문학회지
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    • 제38권2호
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    • pp.211-214
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    • 2005
  • We performed a spatially resolved spectroscopic study of the thermal composite supernova remnant 3C 391 by the Chandra observation. Broad- and narrow-band X-ray images show a southeast-northwest elongated morphology and unveil a highly clumpy structure of the remnant. The spectral analysis for. the small-scale features indicates normal metal abundance and uniform temperature for the interior gas. The properties of the hot gas are largely in agreement with the cloudlet evaporation model as a main mechanism for the 'thermal composite' X-ray appearance, though radiative rim and thermal conduction may also be effective. An unresolved X-ray source, with a power-law spectrum, is observed on the northwest border. The equivalent width images reveal a faint finger-like protrusion in Si and S lines out of the southwest radio border.

구조적 분석을 통한 임플란트 주위염 분리에 관한 연구 (Periimplantitis Detection in Dental X-Ray Image by Structure Analysis)

  • 장창일;안용학;채옥삼
    • 한국정보과학회:학술대회논문집
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    • 한국정보과학회 2001년도 봄 학술발표논문집 Vol.28 No.1 (B)
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    • pp.514-516
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    • 2001
  • 본 논문은 시차를 두고 촬영된 두 장의 치과용 디지털 X-Ray 영상으로부터 임플란트 시술환자에서 자주 발생하는 임플란트 주위염을 검출하는 자동화된 시계열 분석 방안을 제안한다. 분석자에 따라서 결과의 차이를 보이는 수동적인 시계열분석방법의 문제점을 극복하고 보다 객관적이고 정략적인 결과를 얻는 방안을 제시한다. 보다 신속하고 정확한 검출을 위해서 본 연구에서는 치아의 구조 분석을 통해서 환부 탐색 영역을 줄이고 작은 변화도 민감하게 검출할 수 있는 환부영역을 분리할 수 있는 방안을 제안한다. 또한 분리된 환부의 특성을 수치적으로 표현할 수 있는 방안도 함께 제시된다.

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상업용 Black Chrome 태양선택 흡수면의 특성 (Characterization of a Commercial Black Chrome Solar Coating)

  • 이길동;최영희;오정무
    • 태양에너지
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    • 제7권2호
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    • pp.65-73
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    • 1987
  • Microstructural basis for the thermal degradation of electrodeposited black chrome "solar-L-foil" heated in air has been investigated using scanning electron microscopy, energy dispersive x-ray analysis, X-ray diffraction techniques and UV-VIS-NIR spectre-photometer. Experimental result, the change in the shape of the particle comprising the film from their initial needle like structure to a more spherical shape with an oxide after 1hr annealing at $600^{\circ}C$ has been observed. The effect is to degrade solar absorptance of the thin film.

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Synthesis, crystal structure, and analytical characterizations of amphiphilic palladium(II) compound containing bis(benzylthio)methylenepropanedioate

  • Tae Hwan Noh
    • 분석과학
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    • 제36권4호
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    • pp.198-203
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    • 2023
  • The reaction of cis-protected (Me4en)Pd(II) species with potentially multidentate bis(benzylthio)methylenepropanedioate (L) was carried out to obtain a monometallic compound, [(Me4en)Pd(L)], in O,O'-coordination mode. The bis(benzylthio)methylene group was bent strikingly from the palladium square plane at the dihedral angle of 70.40°. The physicochemical properties of the present palladium(II) compound were fully characterized by means of infrared and nuclear magnetic resonance spectroscopy, thermogravimetric analysis, and single-crystal X-ray diffraction measurement.