• Journal of Integrative Natural Science
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• v.8 no.3
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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.

• Molecules and Cells
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• v.20 no.3
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• pp.361-363
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• 2005

Plasmid Achromobacter secretion (PAS) factor is a putative secretion factor that induces the secretion of periplasmic proteins. PAS factor from Vibrio vulnificus was crystallized at 294 K by the hanging drop vapor-diffusion method. It was isolated as a monomer during the purification procedures. The native crystal belongs to the F222 space group with unit cell parameters a = 56.1, b = 74.4, $c=80.0{\AA}$, ${\alpha}={\beta}={\gamma}=90^{\circ}$. The crystal was soaked in cryoprotectant containing 1 M NaBr for 1 h for MAD phasing. The diffraction limit of the Br-MAD data set was $1.9{\AA}$ using synchrotron X-ray irradiation at beam line BL-18B at the Photon Factory, Japan.

• Korean Journal of Crystallography
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• v.16 no.2
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• pp.61-65
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• 2005

Despite a short history, the research on porous coordination polymers is gaining importance in inorganic chemistry thanks to facile synthesis, unambiguous characterization by X-ray diffraction and potentials as high-surface-area materials. Recently, gas sorption properties of various porous materials are under active investigations in order to know whether it is possible to store industrially important gases through physisorption, and porous coordination polymers are one of the most promising candidates for such a purpose. This article reviews two recent papers reporting a series of isomorphous frameworks based on Zn(II), dicarboxylate and diamine ligands and their gas sorption properties.

• Archives of Pharmacal Research
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• v.28 no.6
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• pp.730-735
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• 2005

Nine polymorphic modifications of doxazosin mesylate have been obtained by recrystallization in organic solvents under variable conditions. Different polymorphs of doxazosin mesylate were characterized by powder X-ray crystallography diffractometry (PXRD), differential scanning calorimetry (DSC), and thermogravimetric analysis (TG). Transformation of Form 1 and Form 2 was not occurred in three relative humidities ($0\%$, $51\%$, and $99\%$) at 20$\pm$0.5 for 30 days.

• Korean Journal of Crystallography
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• v.12 no.1
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• pp.10-13
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• 2001

Compound PdCl₂(PhCN)₂(1) reacted with tert-butylamine(t-BuNH₂) to give trans-[PdCl₂(t-BuNH₂)₂] (2) Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C{¹H}-NMR, and IR) and X-ray diffraction. Crystallographic data for f2: monoclinic space group p2₁/c, a=6.298(1)Å, b=20.740(2)Å, c=10.731(1)Å, β=92.58(1)°, Z=4, R(wR₂)=0.0207(0.0543).

• Korean Journal of Crystallography
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• v.10 no.1
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• pp.45-50
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• 1999

Ar 기류하에서 trans-[FeH(NCCH2CH2CH2Cl)(dppe)2][BF4], 1과 KCN이 반응하여 trans-[FeH(CN)(dppe)2], 2가 생성되었다. 이 화합물의 구조가 NMR, IR, 원소분석, 그리고 X-ray 회절법으로 규명되었다. 착물 2의 결정학 자료: 단사정계 공간군 p21/c, a=13.580(1) b=20.178(2) , c=17.592(3) , β=92.22(1)o, Z=4,(wR2)=0.0659(0.1692).

• YAKHAK HOEJI
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• v.35 no.4
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• pp.301-307
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• 1991

A benzofuran substance was isolated from the methanol extract of Pauownia tomentosa stem which has been used to treat against gonorrhoea and contusion etc. in the oriental traditional medicine. Its structure was elucidated as methyl-5-hydroxy-[1, 4]naphthoquino-[2, 3-b]benzo-[I, 2-g] benzofuran-6-carboxylate by X-ray crystallography and various spectroscopic evidences and also other three known compounds, paulownin, sesamin, $\beta$-sitosteryl-3-O-$\beta$-D-glucopyranoside, were obtained.

• Bulletin of the Korean Chemical Society
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• v.25 no.12
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• pp.1935-1936
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• 2004

• Korean Journal of Crystallography
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• v.13 no.1
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• pp.1-11
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• 2002

비반전성 (acentric)공간 군에 속한 화합물에 변칙 산란자(anomalous scatterer)가 포함되어 있을 때, 변칙 분산(anomalous dispersion)효과가 나타나며, 이로 인하여 X-ray회절 강도들 사이에 Friedel법칙이 깨지게 된다. 이러한 현상이 이용되면, 화합물 내의 중원자(heavy atom)의 위치를 찾은 후 나머지 원자의 위치를 찾아 구조를 밝힐 수 있다. 키랄성 (chiral) 화합물의 결정들은 230개의 공간군들 중에서 65개 거울상(혹은 광학 활성적인, enantiomorphic) 공간들 중 하나에 속하며, 그것들의 절대 배열은 따로 확인되어야 한다. 다시 말하면, 키랄성 화합물의 결정이 키랄성 결정 격자들의 공간 군들 중에 속한다면, 우리는 화합물의 절대 배열을 확인하여야한다.

• Archives of Pharmacal Research
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• v.26 no.9
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• pp.679-685
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• 2003

A series of novel cyclopropyl nucleosides was synthesized using the highly stereoselective Simmons-Smith reaction starting from 1,2:5,6-di-Ο-isopropylidene-D-mannitol. The structural assignments of these nucleosides were determined by NMR studies and X-ray crystallography. All the synthesized nucleosides were assayed against several viruses.