• Bulletin of the Korean Chemical Society
• /
• v.32 no.8
• /
• pp.2617-2622
• /
• 2011

Two new Zn(II) complexes, $[Zn_2(dpa)_2(phen)_2(H_2O)_2]{\cdot}H_2O$ (1) (dpa = dephenate, phen = 1,10-phenanthroline) and [$Zn_2(dpa)_2(bpy)_2(H_2O)_2$] (2) (bpy = 2,2'-bipyridine) have been synthesized and characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis, and single crystal X-ray diffraction. The X-ray analysis reveals that the structures of 1 and 2 are dinuclear zinc(II) complexes bridged by dpa dianions, respectively. The zinc ions in 1 exhibit a distorted square pyramidal environments, while the zinc ions in 2 exhibit a trigonal bipyramid geometry. In each complex, the dpa ligand is coordinated to zinc ions as a bis-monodentate.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.2
• /
• pp.374-378
• /
• 2013

Two novel binuclear metal-organic coordination complexes [$Cd_2(Hdpa)_4(bpy)_2$] (1), [$Dy_2(dpa)_2(bpy)_2(NO_3)_2-(H_2O)_2$](bpy) (2) (where $H_2dpa$ = biphenyl-2,2'-dicarboxylic acid, bpy = 2,2'-bipyridine) have been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction, spectral method (IR), elemental analysis (EA), powder X-ray diffraction (XRD), electronic spectra (UV-vis), fluorescent in the solid state and thermogravimetric analysis (TGA). Complexes 1-2 crystallizes isomorphously in the Triclinic space group P-1. The ${\pi}-{\pi}$ stacking interactions and hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.1
• /
• pp.92-96
• /
• 2009

A new precursor [$Zr(acac)_{3}(H_{2}O)_{2}$] was synthesized by Sonochemical technique and used to deposit thin $ZrO_{2}$ film on quartz and ceramic substrate via ultrasonic aerosol assisted chemical vapour deposition (UAACVD) at 300 ${^{\circ}C}$ in oxygen environment followed by annealing of the sample for 2-3 minutes at 500 ${^{\circ}C}$ in nitrogen ambient. The molecular structure of the precursor determined by single crystal X-ray analysis revealed that the molecules are linked through intermolecular hydrogen bonds forming pseudo six and eight membered rings. DSC and TGA/FTIR techniques were used to determine thermal behavior and decomposition temperature of the precursor and nature of evolved gas products. The optical measurement of annealed $ZrO_{2}$ film with tetragonal phase shows optical energy band gap of 5.01 eV. The particle size, morphology, surface structure and composition of deposited films were investigated by XRD, SEM and EDX.

• Archives of Pharmacal Research
• /
• v.12 no.1
• /
• pp.52-57
• /
• 1989

The structure of cinmetacin was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of acetone and water in orthorhombic, space group $P2_12_12_1$, with Z=4, a=35.681(8), b=9.482(2), c:5.071(1) ${\AA}$, $D_x=1.352 g/cm^3$, and $D_m=1.35g/cm^3$. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.036 for 1441 observed reflections ($F{\geq}3{\sigma}(F)$). The carboxyl group of the molecule is nearly perpendicular to the indole ring. The dihedral angle between indole ring and phenyl group is $64.5^{\circ}$. The molecules are linked together via O(1)-H ----O(3) hydrogen bonds, and arranged along 2-fold screw axis in the crystal. The intermolecular contacts are the normal van der Waals' forces.

• Journal of the Korean Magnetics Society
• /
• v.17 no.1
• /
• pp.18-21
• /
• 2007

The hexagonal $HoMn_{1-x}-Fe_xO_3$(x=0.00, 0.05) thin films were prepared using pulsed laser deposition(PLD) method on $Pt/Ti/SiO_2/Si$ substrate. The microstructure and magnetic properties have been studied by x-ray diffraction(XRD), atomic force microscopy (AFH), scanning electron microscope(SEM:), x-ray photoelectron spectroscopy(XPS), and conversion electron $M\"{o}ssbauer$ spectroscopy(CEMS). From the analysis of the x-ray diffraction patterns, the crystal structure for all films was found to be a hexagonal($P6_3cm$), which was preferentially grown along(110) direction. The lattice constant $c_0$ of the film with x=0.05 was close to that of single crystal, whereas lattice constant $a_0$ with respect to single crystal shows a slight decrease. This difference of lattice parameters between film and single crystal was caused by the lattice mismatch between the film and $Pt/Ti/SiO_2/Si$ substrate. Conversion electron $M\"{o}ssbauer$ spectrum of $HoMn_{0.95}Fe_{0.05}O_3$ thin film shows an asymmetry doublet absorption ratio at room temperature, which is due to the oriented direction of crystallographic domains. This is corresponding with analysis of x-ray diffraction. The quadrupole splitting(${\Delta}E_Q$) at room temperature is found to be $1.62{\pm}0.01mm/s$. This large ${\Delta}E_Q$ was caused by asymmetry environment surrounding Fe ion.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.11
• /
• pp.3755-3760
• /
• 2012

Single crystals of lithium potassium phthalate (LiKP) were successfully grown from aqueous solution by solvent evaporation technique. The grown crystals were characterized by single crystal X-ray diffraction. The lithium potassium phthalate $C_{16}\;H_{12}\;K\;Li_3\;O_{11}$ belongs to triclinic system with the following unit-cell dimensions at 298(2) K;$a=7.405(5){\AA}$;$b=9.878(5){\AA}$;$c=13.396(5){\AA}$;${\alpha}=71.778(5)^{\circ}$;${\beta}=87.300(5)^{\circ}$;${\gamma}=85.405(5)^{\circ}$; having a space group P1. Mass spectrometric analysis provides the molecular weight of the compound and possible ways of fragmentations occurs in the compound. Thermal stability of the crystal was also studied by both simultaneous TGA/DTA analyses. The UV-Vis-NIR spectrum shows a good transparency in the whole of Visible and as well as in the near IR range. Third order nonlinear optical studies have also been studied by Z-scan technique. Nonlinear absorption and nonlinear refractive index were found out and the third order bulk susceptibility of compound was also estimated. The results have been discussed in detail.

• Archives of Pharmacal Research
• /
• v.13 no.2
• /
• pp.166-173
• /
• 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.

• Archives of Pharmacal Research
• /
• v.25 no.1
• /
• pp.25-27
• /
• 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.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.4
• /
• pp.1177-1181
• /
• 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.

• Archives of Pharmacal Research
• /
• v.19 no.1
• /
• pp.71-73
• /
• 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.