• Title/Summary/Keyword: crystal analysis

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The Crystal Structure of Licarin-B $(C_{20}H_{20}O_4)$, A Component of the Seeds of Myristica fragrans

  • Kim, Yang-Bae;Park, Il-Yeong;Shin, Kuk-Hyun
    • Archives of Pharmacal Research
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    • v.14 no.1
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    • pp.1-6
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    • 1991
  • The crystal structure of licarin-B, a component of Myristicae Semen was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from the mixture of hexane and ether, is monoclinic with a=12.740(1), b=7.219(1), c=9.284(1) ${\AA}$, ${\beta}=94.75(1)^{\circ}$, $D_x=1.26$, $D_m=1.27\;g/cm^3$, space group P21, and Z=2. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.040 for 1532 independent reflections ${F{\ge}3{\sigma}(F)}$. The compound is a dimeric phenylpropanoid, and belongs to the neolignan analogues. The molecules are arranged along with the screw axis. The intermolecular contacts appear to be the normal van der Waals' forces.

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Structural Analysis for the Single Crystal of 2-(4-(9H-carbazol-9-yl)benzylidene) based Dye Compound

  • Hwang, Jiyong;Son, Young-A
    • Textile Coloration and Finishing
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    • v.26 no.2
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    • pp.143-149
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    • 2014
  • The designed dye material, namely 2-(4-(9H-carbazol-9-yl)benzylidene) compound, was synthesized. After the reaction, the solid was filtered and purified by recrystalization with acetone/water. To confirm and analyze its synthesis and structural formation, the single crystal was prepared and its measurement was carried out. A yellow needle crystal of $C_{22}H_{13}N_3$ were made on a Rigaku R-AXIS RAPID diffractometer using graphite monochromated CuK${\alpha}$ radiation. All details were suggested and introduced to support and communicate this study.

The analysis of the optical response of merocyanine LB films using QCM (수정진동자를 이용한 메로시아닌 색소 LB막의 광반응 특성)

  • Kang, Ki-Ho;Kim, Jeong-Myung;Chang, Jung-Soo;Kwon, Young-Soo
    • Proceedings of the KIEE Conference
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    • 2000.11c
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    • pp.434-436
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    • 2000
  • In this study, we investigate the optical characteristics of merocyanine dye Langmuir-Blodgett(LB) film using the oscillation characteristics of quartz crystal. As results, the resistance and frequency shift at the parallel resonance under the UV irradiation is to be going down. This behaviour of resistance and frequency is different from the case of general mass adsorption into the organic film on the quartz crystal. Generally the frequency decrease of quartz crystal oscillator, which has been considered as mass loading, goes along with the resistance increase. Thus it has been suggested that the J-aggregate dissociation in merocyanine dye LB film by UV irradiation give rise to transformation of oscillation characteristics of quartz crystal.

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The Crystal Structure of Naproxen Sodium, ($C_{14}H_{13}O_3Na$), A Non-steroidal Antiinflammatory Agent

  • Kim, Yang-Bae;Park, Il-Yeong;Lah, Woon-Ryong
    • Archives of Pharmacal Research
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    • v.13 no.2
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    • pp.166-173
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    • 1990
  • The structure of the anti-inflammatory agent, naproxen sodium was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from methanol solution, is nomoclinic, space group $P2_1$ with a = 21. 177(6), b = 5.785(2), c = 5.443(2) $\AA, \beta$ = 91.41(3)$\{\circ}$ and Z = 2. The calculated density is 1.346; the observed value is nements based on 1093 reflections ($F\geq3\sigma$(F)) gave the final R value of 0.043. There are of one water per one compound molecule in the crystal. The carboxyl group of the molecule is nearly perpendicular to the naphthalene ring. The molecules are arranged along with the screw axis, and stabilized by five 0...Na type interactions. The molecule retains nearly same dimensions and similar conformation compared to its parent compound, naproxen, except for the torsion angles around C(5)-C(11) bond.

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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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    • v.25 no.1
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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.

Studies on the Crystal Structure of Benzidine Perchlorate by X-ray Diffraction method (II) Crystal Structure Analysis (X-線 廻折法을 利用한 벤지딘過鹽素酸鹽의 結晶構造에 關한 硏究 (II)結晶構造의 解析)

  • Koo, Chung-Hoe;Shin, Hyun-So;Kang, Man-Hyong
    • Journal of the Korean Chemical Society
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    • v.14 no.1
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    • pp.123-126
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    • 1970
  • The approximate crystal structure of benzidine monoperchlorate has been determined by single crystal X-Ray diffraction technique and patterson method. As the molecule has a center of symmetry in it and location of perchlorate ion is symmetrically on the mirror plane in the unit cell, perchlorate ion is forming hydrogen bond with two -$NH_2$ groups in the different molecule. Thus, one molecule of benzidine and perchloric acid combines 1:1 by mole ratio.

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Floating-Zone Growth of Single Crystal Olivine $[(Mg_{1-x}Fe}_{x})_2SiO_4]$ (Floating Zone법에 의한 올리빈 $[(Mg_{1-x}Fe}_{x})_2SiO_4]$단결정 성장)

  • 정광철;강승민;신재혁;한종원;최종건;오근호;박한수;문종수
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.3 no.1
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    • pp.85-92
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    • 1993
  • Large single crystals of olivine were grown by using image furnace(floating zone furnace)under controlled partial pressure of oxygen. The transparent crystals have maximum sizes 65mm in length by 7mm in diameter. When partial pressure of oxygen was decreased, the portion of secondary phases in crystals were increased so that it made crystals dark brown. The secondary phases were proved to be solid solution of Mg, Si, and Fe by electron microprobe analysis. Mg was major portion and the rest was minor.

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Statistical Modeling of the Pretilt Angle Control in Nematic Liquid Crystal using In-situ Photoalignment Method on Plastic Substrate

  • Kang, Hee-Jin;Lee, Jung-Hwan;Yun, Il-Gu;Seo, Dae-Shik
    • Transactions on Electrical and Electronic Materials
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    • v.7 no.3
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    • pp.145-148
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    • 2006
  • In this study, the response surface modeling of the pretilt angle control using in-situ photoalignment method with oblique UV exposure .on plastic substrate is investigated. The pretilt angle is the main factor to determine the alignment of the liquid crystal display. The response surface model is used to analyze the variation of the pretilt angle on the various process conditions. Heating temperature and UV exposure time are considered as input factors. The liquid crystal (LC) pretilt angle increased with increasing heating temperature and UV exposure time. The analysis of variance is used to analyze the statistical significance and the effect plots are also investigated to examine the relationship between the process parameters and the response.

Construction of a 2D Co(II) Coordination Polymer with (4,4)-Connected Topology: Synthesis, Crystal Structure, and Surface Photo-electric Property

  • Li, Jia-Ming
    • Bulletin of the Korean Chemical Society
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    • v.35 no.4
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    • pp.1177-1181
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    • 2014
  • A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2]_n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that 1 displays octahedral metal centers with secondary building units (SBUs) [$Co(BTA)_2(H_2O)_2$] bridged by the $BTA^-$ ligands. In the crystal, the 2D supramolecular architecture is further supported by $O-H{\cdots}O$, $O-H{\cdots}N$, $C-H{\cdots}O$ hydrogen bonds and ${\pi}{\cdots}{\pi}$ stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300-600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

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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    • v.19 no.1
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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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